6-(3-chlorophenyl)sulfanyl-2-methyl-4H-pyrrolo[3,2-d][1,3]thiazole-5-carboxamide

C13H10ClN3OS2 — CID 11674216

IUPAC6-(3-chlorophenyl)sulfanyl-2-methyl-4H-pyrrolo[3,2-d][1,3]thiazole-5-carboxamide
SMILESCc1nc2c(Sc3cccc(Cl)c3)c(C(N)=O)[nH]c2s1
InChIInChI=1S/C13H10ClN3OS2/c1-6-16-10-11(9(12(15)18)17-13(10)19-6)20-8-4-2-3-7(14)5-8/h2-5,17H,1H3,(H2,15,18)
InChIKeyKVNUDRZMWWEVIU-UHFFFAOYSA-N
MW323.83 g/mol
LogP3.84
Rot. Bonds3

About 6-(3-chlorophenyl)sulfanyl-2-methyl-4H-pyrrolo[3,2-d][1,3]thiazole-5-carboxamide

6-(3-chlorophenyl)sulfanyl-2-methyl-4H-pyrrolo[3,2-d][1,3]thiazole-5-carboxamide (PubChem CID 11674216) has the molecular formula C13H10ClN3OS2 and a molecular weight of 323.83 g/mol. Its IUPAC name is 6-(3-chlorophenyl)sulfanyl-2-methyl-4H-pyrrolo[3,2-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name6-(3-chlorophenyl)sulfanyl-2-methyl-4H-pyrrolo[3,2-d][1,3]thiazole-5-carboxamide
PubChem CID11674216
Molecular FormulaC13H10ClN3OS2
Molecular Weight323.83 g/mol
Exact Mass323.00
IUPAC Name6-(3-chlorophenyl)sulfanyl-2-methyl-4H-pyrrolo[3,2-d][1,3]thiazole-5-carboxamide
SMILESCc1nc2c(Sc3cccc(Cl)c3)c(C(N)=O)[nH]c2s1
InChIInChI=1S/C13H10ClN3OS2/c1-6-16-10-11(9(12(15)18)17-13(10)19-6)20-8-4-2-3-7(14)5-8/h2-5,17H,1H3,(H2,15,18)
InChIKeyKVNUDRZMWWEVIU-UHFFFAOYSA-N
XLogP3.84
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.83
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)sulfanyl-2-methyl-4H-pyrrolo[3,2-d][1,3]thiazole-5-carboxamide?
The IUPAC name of 6-(3-chlorophenyl)sulfanyl-2-methyl-4H-pyrrolo[3,2-d][1,3]thiazole-5-carboxamide (CID 11674216) is 6-(3-chlorophenyl)sulfanyl-2-methyl-4H-pyrrolo[3,2-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 6-(3-chlorophenyl)sulfanyl-2-methyl-4H-pyrrolo[3,2-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 6-(3-chlorophenyl)sulfanyl-2-methyl-4H-pyrrolo[3,2-d][1,3]thiazole-5-carboxamide is Cc1nc2c(Sc3cccc(Cl)c3)c(C(N)=O)[nH]c2s1.
What is the InChIKey of 6-(3-chlorophenyl)sulfanyl-2-methyl-4H-pyrrolo[3,2-d][1,3]thiazole-5-carboxamide?
The InChIKey is KVNUDRZMWWEVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3OS2/c1-6-16-10-11(9(12(15)18)17-13(10)19-6)20-8-4-2-3-7(14)5-8/h2-5,17H,1H3,(H2,15,18).
What are the key properties of 6-(3-chlorophenyl)sulfanyl-2-methyl-4H-pyrrolo[3,2-d][1,3]thiazole-5-carboxamide?
6-(3-chlorophenyl)sulfanyl-2-methyl-4H-pyrrolo[3,2-d][1,3]thiazole-5-carboxamide has a molecular weight of 323.83 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)sulfanyl-2-methyl-4H-pyrrolo[3,2-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 11674216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).