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Chemical ID: 4144998

Chemical ID:

4144998

Name [?]:

4-(4-bromophenyl)-N-[(2-fluorophenyl)methyleneamino]thiazol-2-amine

SMILES [?]:

c1ccc(c(c1)C=NNc2nc(cs2)c3ccc(cc3)Br)F

InChi [?]:

InChI=1/C16H11BrFN3S/c17-13-7-5-11(6-8-13)15-10-22-16(20-15)21-19-9-12-3-1-2-4-14(12)18/h1-10H,(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,16,20,17,19,7,13,15,5,18,4,12,10,21,22,8,11,9,14/E:(5,6)(7,8)/rA:22nCCCCCCCNNCNCCSCCCCCCBrF/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s11;d12;s10s13;s12;s15;d16;s17;d18;d15s19;s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₁BrFN₃S
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	10.4998
Area:	523.38
Solvation:	-2.58474
Coulombic:	-22.6138

Bond Count [?]

All:	24
Single:	15
Double:	9
Rotors:	4
Chiral:	1
Rigid Segments:	4

Chemical Properties

Molecular Weight:	376.247
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	6.14
LogP (Chemaxon):	6.08

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