N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide

C9H10N2O2S3 — CID 6623493

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESCc1nc(CNS(=O)(=O)c2cccs2)cs1
InChIInChI=1S/C9H10N2O2S3/c1-7-11-8(6-15-7)5-10-16(12,13)9-3-2-4-14-9/h2-4,6,10H,5H2,1H3
InChIKeyDRHGUAFRLJCFGV-UHFFFAOYSA-N
MW274.39 g/mol
LogP1.99
Rot. Bonds4

About N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide

N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide (PubChem CID 6623493) has the molecular formula C9H10N2O2S3 and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
PubChem CID6623493
Molecular FormulaC9H10N2O2S3
Molecular Weight274.39 g/mol
Exact Mass273.99
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESCc1nc(CNS(=O)(=O)c2cccs2)cs1
InChIInChI=1S/C9H10N2O2S3/c1-7-11-8(6-15-7)5-10-16(12,13)9-3-2-4-14-9/h2-4,6,10H,5H2,1H3
InChIKeyDRHGUAFRLJCFGV-UHFFFAOYSA-N
XLogP1.99
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide (CID 6623493) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide is Cc1nc(CNS(=O)(=O)c2cccs2)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is DRHGUAFRLJCFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S3/c1-7-11-8(6-15-7)5-10-16(12,13)9-3-2-4-14-9/h2-4,6,10H,5H2,1H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 274.39 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 6623493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).