N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

C11H11N3O3S3 — CID 60984796

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)Nc1sc(C)c(C)c1C#N
InChIInChI=1S/C11H11N3O3S3/c1-5-7(3)18-9(8(5)4-12)14-20(16,17)10-6(2)13-11(15)19-10/h14H,1-3H3,(H,13,15)
InChIKeyTXNOACWIXILVFU-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.10
Rot. Bonds3

About N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide

N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (PubChem CID 60984796) has the molecular formula C11H11N3O3S3 and a molecular weight of 329.43 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
PubChem CID60984796
Molecular FormulaC11H11N3O3S3
Molecular Weight329.43 g/mol
Exact Mass329.00
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)Nc1sc(C)c(C)c1C#N
InChIInChI=1S/C11H11N3O3S3/c1-5-7(3)18-9(8(5)4-12)14-20(16,17)10-6(2)13-11(15)19-10/h14H,1-3H3,(H,13,15)
InChIKeyTXNOACWIXILVFU-UHFFFAOYSA-N
XLogP2.10
TPSA102.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide (CID 60984796) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)Nc1sc(C)c(C)c1C#N.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is TXNOACWIXILVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S3/c1-5-7(3)18-9(8(5)4-12)14-20(16,17)10-6(2)13-11(15)19-10/h14H,1-3H3,(H,13,15).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 329.43 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 60984796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).