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Chemical ID: 4287822

Chemical ID:

4287822

Name [?]:

N-[1-(4-chlorophenyl)ethylideneamino]-4-(p-tolyl)thiazol-2-amine

SMILES [?]:

Cc1ccc(cc1)c2csc(n2)NN=C(C)c3ccc(cc3)Cl

InChi [?]:

InChI=1/C18H16ClN3S/c1-12-3-5-15(6-4-12)17-11-23-18(20-17)22-21-13(2)14-7-9-16(19)10-8-14/h3-11H,1-2H3,(H,20,22)

InChi Info:

AuxInfo=1/1/N:1,16,3,7,4,6,18,22,19,21,9,2,15,17,5,20,8,11,23,12,14,13,10/E:(3,4)(5,6)(7,8)(9,10)/rA:23nCCCCCCCCCSCNNNCCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;w14;s15;s15;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₆ClN₃S
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	12.0614
Area:	567.376
Solvation:	-2.12306
Coulombic:	-19.1161

Bond Count [?]

All:	25
Single:	16
Double:	9
Rotors:	4
Chiral:	1
Rigid Segments:	4

Chemical Properties

Molecular Weight:	341.859
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	6.38
LogP (Chemaxon):	5.77

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value