2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylate

C12H7ClN3O2S- — CID 6927290

IUPAC2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylate
SMILESCc1c(C(=O)[O-])sc2nc(-c3ccc(Cl)cc3)nn12
InChIInChI=1S/C12H8ClN3O2S/c1-6-9(11(17)18)19-12-14-10(15-16(6)12)7-2-4-8(13)5-3-7/h2-5H,1H3,(H,17,18)/p-1
InChIKeyWMNXCGNYNFDFSD-UHFFFAOYSA-M
MW292.73 g/mol
LogP1.78
Rot. Bonds2

About 2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylate

2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylate (PubChem CID 6927290) has the molecular formula C12H7ClN3O2S- and a molecular weight of 292.73 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylate.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylate
PubChem CID6927290
Molecular FormulaC12H7ClN3O2S-
Molecular Weight292.73 g/mol
Exact Mass292.00
IUPAC Name2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylate
SMILESCc1c(C(=O)[O-])sc2nc(-c3ccc(Cl)cc3)nn12
InChIInChI=1S/C12H8ClN3O2S/c1-6-9(11(17)18)19-12-14-10(15-16(6)12)7-2-4-8(13)5-3-7/h2-5H,1H3,(H,17,18)/p-1
InChIKeyWMNXCGNYNFDFSD-UHFFFAOYSA-M
XLogP1.78
TPSA70.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[2-[6-methyl-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide
CID 7287056
methyl (Z)-2-[2-[4-(7-chloro-1,3-benzothiazol-2-yl)phenyl]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-3-methoxyprop-2-enoate
CID 70342955
methyl (Z)-2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-3-methoxyprop-2-enoate
CID 70344387
2-(4-chlorophenyl)-5-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3429749
(5E)-2-(4-chlorophenyl)-5-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6383705
N-[2-[2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-4-ethoxybenzenesulfonamide
CID 22584853
methyl 3-methoxy-2-[6-methyl-2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]prop-2-enoate
CID 54392816
(5Z)-2-(4-tert-butylphenyl)-5-[(4-chlorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6125209
[4-[(Z)-[2-(4-chlorophenyl)-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]phenyl] acetate
CID 6513739
N-(4-chlorophenyl)-4-(4-methylphenyl)-7-thia-2,3,5,10-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5-triene-10-carboxamide
CID 53080027
2-(4-chlorophenyl)-5-[(4-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3140321
(4-chlorophenyl)-(2,6-diphenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)diazene
CID 14920703

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylate?
The IUPAC name of 2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylate (CID 6927290) is 2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylate.
What is the SMILES notation for 2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylate?
The canonical SMILES for 2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylate is Cc1c(C(=O)[O-])sc2nc(-c3ccc(Cl)cc3)nn12.
What is the InChIKey of 2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylate?
The InChIKey is WMNXCGNYNFDFSD-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H8ClN3O2S/c1-6-9(11(17)18)19-12-14-10(15-16(6)12)7-2-4-8(13)5-3-7/h2-5H,1H3,(H,17,18)/p-1.
What are the key properties of 2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylate?
2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylate has a molecular weight of 292.73 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylate is sourced from PubChem (CID 6927290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).