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

C12H8ClN5S2 — CID 108776564

IUPAC6-chloro-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine
SMILESCc1csc2nc(Nc3nc4ccc(Cl)cc4s3)nn12
InChIInChI=1S/C12H8ClN5S2/c1-6-5-19-12-16-10(17-18(6)12)15-11-14-8-3-2-7(13)4-9(8)20-11/h2-5H,1H3,(H,14,15,17)
InChIKeyXSCIDIOSXZEIHL-UHFFFAOYSA-N
MW321.82 g/mol
LogP4.11
Rot. Bonds2

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

6-chloro-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine (PubChem CID 108776564) has the molecular formula C12H8ClN5S2 and a molecular weight of 321.82 g/mol. Its IUPAC name is 6-chloro-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine
PubChem CID108776564
Molecular FormulaC12H8ClN5S2
Molecular Weight321.82 g/mol
Exact Mass320.99
IUPAC Name6-chloro-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine
SMILESCc1csc2nc(Nc3nc4ccc(Cl)cc4s3)nn12
InChIInChI=1S/C12H8ClN5S2/c1-6-5-19-12-16-10(17-18(6)12)15-11-14-8-3-2-7(13)4-9(8)20-11/h2-5H,1H3,(H,14,15,17)
InChIKeyXSCIDIOSXZEIHL-UHFFFAOYSA-N
XLogP4.11
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.82
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine (CID 108776564) is 6-chloro-N-(6-methyl-[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-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine is Cc1csc2nc(Nc3nc4ccc(Cl)cc4s3)nn12.
What is the InChIKey of 6-chloro-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine?
The InChIKey is XSCIDIOSXZEIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN5S2/c1-6-5-19-12-16-10(17-18(6)12)15-11-14-8-3-2-7(13)4-9(8)20-11/h2-5H,1H3,(H,14,15,17).
What are the key properties of 6-chloro-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine?
6-chloro-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine has a molecular weight of 321.82 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 108776564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).