4-methyl-2-oxo-N-propan-2-yl-N-(thiophen-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide

C12H16N2O3S3 — CID 61455518

IUPAC4-methyl-2-oxo-N-propan-2-yl-N-(thiophen-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N(Cc1cccs1)C(C)C
InChIInChI=1S/C12H16N2O3S3/c1-8(2)14(7-10-5-4-6-18-10)20(16,17)11-9(3)13-12(15)19-11/h4-6,8H,7H2,1-3H3,(H,13,15)
InChIKeyFQWQFOADBGCMBS-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.41
Rot. Bonds5

About 4-methyl-2-oxo-N-propan-2-yl-N-(thiophen-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide

4-methyl-2-oxo-N-propan-2-yl-N-(thiophen-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide (PubChem CID 61455518) has the molecular formula C12H16N2O3S3 and a molecular weight of 332.47 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-propan-2-yl-N-(thiophen-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name4-methyl-2-oxo-N-propan-2-yl-N-(thiophen-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide
PubChem CID61455518
Molecular FormulaC12H16N2O3S3
Molecular Weight332.47 g/mol
Exact Mass332.03
IUPAC Name4-methyl-2-oxo-N-propan-2-yl-N-(thiophen-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N(Cc1cccs1)C(C)C
InChIInChI=1S/C12H16N2O3S3/c1-8(2)14(7-10-5-4-6-18-10)20(16,17)11-9(3)13-12(15)19-11/h4-6,8H,7H2,1-3H3,(H,13,15)
InChIKeyFQWQFOADBGCMBS-UHFFFAOYSA-N
XLogP2.41
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-oxo-N-propan-2-yl-N-(thiophen-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide with MolForge

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Related Compounds

N,4-dimethyl-2-oxo-N-(1-thiophen-2-ylethyl)-3H-1,3-thiazole-5-sulfonamide
CID 60724800
N-propan-2-yl-N-(thiophen-2-ylmethyl)propane-2-sulfonamide
CID 61395279
3-amino-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61450031
5-[propan-2-yl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrazole-3-carboxylic acid
CID 166390232
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-4-sulfonamide
CID 61452159
2-amino-4-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61450114
N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60716009
N-cyclopropyl-N-(furan-2-ylmethyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60729636
methyl 4-[propan-2-yl(thiophen-2-ylmethyl)sulfamoyl]butanoate
CID 61460631
N-ethyl-N-(thiophen-2-ylmethyl)methanesulfonamide
CID 60681457
4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 16794146
N-benzyl-N-propan-2-ylthiophene-2-sulfonamide
CID 2813900

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-N-propan-2-yl-N-(thiophen-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of 4-methyl-2-oxo-N-propan-2-yl-N-(thiophen-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide (CID 61455518) is 4-methyl-2-oxo-N-propan-2-yl-N-(thiophen-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 4-methyl-2-oxo-N-propan-2-yl-N-(thiophen-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 4-methyl-2-oxo-N-propan-2-yl-N-(thiophen-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)N(Cc1cccs1)C(C)C.
What is the InChIKey of 4-methyl-2-oxo-N-propan-2-yl-N-(thiophen-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is FQWQFOADBGCMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S3/c1-8(2)14(7-10-5-4-6-18-10)20(16,17)11-9(3)13-12(15)19-11/h4-6,8H,7H2,1-3H3,(H,13,15).
What are the key properties of 4-methyl-2-oxo-N-propan-2-yl-N-(thiophen-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide?
4-methyl-2-oxo-N-propan-2-yl-N-(thiophen-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 332.47 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-N-propan-2-yl-N-(thiophen-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61455518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).