6-chloro-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine

C13H10ClN5S2 — CID 108772191

IUPAC6-chloro-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine
SMILESCc1sc2nc(Nc3nc4ccc(Cl)cc4s3)nn2c1C
InChIInChI=1S/C13H10ClN5S2/c1-6-7(2)20-13-17-11(18-19(6)13)16-12-15-9-4-3-8(14)5-10(9)21-12/h3-5H,1-2H3,(H,15,16,18)
InChIKeyICMCXMFJNPEYOV-UHFFFAOYSA-N
MW335.85 g/mol
LogP4.41
Rot. Bonds2

About 6-chloro-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine

6-chloro-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine (PubChem CID 108772191) has the molecular formula C13H10ClN5S2 and a molecular weight of 335.85 g/mol. Its IUPAC name is 6-chloro-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine
PubChem CID108772191
Molecular FormulaC13H10ClN5S2
Molecular Weight335.85 g/mol
Exact Mass335.01
IUPAC Name6-chloro-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine
SMILESCc1sc2nc(Nc3nc4ccc(Cl)cc4s3)nn2c1C
InChIInChI=1S/C13H10ClN5S2/c1-6-7(2)20-13-17-11(18-19(6)13)16-12-15-9-4-3-8(14)5-10(9)21-12/h3-5H,1-2H3,(H,15,16,18)
InChIKeyICMCXMFJNPEYOV-UHFFFAOYSA-N
XLogP4.41
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.85
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine (CID 108772191) is 6-chloro-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-chloro-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine is Cc1sc2nc(Nc3nc4ccc(Cl)cc4s3)nn2c1C.
What is the InChIKey of 6-chloro-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine?
The InChIKey is ICMCXMFJNPEYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5S2/c1-6-7(2)20-13-17-11(18-19(6)13)16-12-15-9-4-3-8(14)5-10(9)21-12/h3-5H,1-2H3,(H,15,16,18).
What are the key properties of 6-chloro-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine?
6-chloro-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine has a molecular weight of 335.85 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 108772191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).