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Chemical ID: 6122478

Chemical ID:

6122478

Name [?]:

ethyl 5-[1-(p-tolyl)ethylideneaminoamino]thiadiazole-4-carboxylate

SMILES [?]:

CCOC(=O)c1c(snn1)NN=C(C)c2ccc(cc2)C

InChi [?]:

InChI=1/C14H16N4O2S/c1-4-20-14(19)12-13(21-18-16-12)17-15-10(3)11-7-5-9(2)6-8-11/h5-8,17H,4H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,21,14,2,17,19,16,20,18,13,15,6,7,4,12,10,11,9,5,3,8/E:(5,6)(7,8)/rA:21nCCOCOCCSNNNNCCCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;s6d9;s7;s11;w12;s13;s13;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₆N₄O₂S
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	10.7002
Area:	521.301
Solvation:	-2.33229
Coulombic:	-33.3564

Bond Count [?]

All:	22
Single:	15
Double:	7
Rotors:	6
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	304.369
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	5.49
LogP (Chemaxon):	2.77

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value