N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-3-methylthiophene-2-carboxamide

C11H12N2O3S3 — CID 71981731

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-3-methylthiophene-2-carboxamide
SMILESCc1nc(C)c(S(=O)(=O)NC(=O)c2sccc2C)s1
InChIInChI=1S/C11H12N2O3S3/c1-6-4-5-17-9(6)10(14)13-19(15,16)11-7(2)12-8(3)18-11/h4-5H,1-3H3,(H,13,14)
InChIKeyVHQPEMXRZVTWQR-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.25
Rot. Bonds3

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-3-methylthiophene-2-carboxamide

N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-3-methylthiophene-2-carboxamide (PubChem CID 71981731) has the molecular formula C11H12N2O3S3 and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-3-methylthiophene-2-carboxamide
PubChem CID71981731
Molecular FormulaC11H12N2O3S3
Molecular Weight316.43 g/mol
Exact Mass316.00
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-3-methylthiophene-2-carboxamide
SMILESCc1nc(C)c(S(=O)(=O)NC(=O)c2sccc2C)s1
InChIInChI=1S/C11H12N2O3S3/c1-6-4-5-17-9(6)10(14)13-19(15,16)11-7(2)12-8(3)18-11/h4-5H,1-3H3,(H,13,14)
InChIKeyVHQPEMXRZVTWQR-UHFFFAOYSA-N
XLogP2.25
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-4-[(S)-methylsulfinyl]benzamide
CID 96824693
N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-methylthiophene-2-carboxamide
CID 86997815
[(3-methylthiophene-2-carbonyl)amino]urea
CID 63001953
N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-methyl-3-thiophen-2-ylpropanamide
CID 71981735
N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]cyclopent-3-ene-1-carboxamide
CID 71981730
N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-(2-methylphenoxy)acetamide
CID 91643890
2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]acetamide
CID 99813507
(2S,3S)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 96824698
methyl 4-methyl-2-[(3-methylthiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 78808645
2,2-dichloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]cyclopropane-1-carboxamide
CID 71981736
N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-4-fluoro-3-(propan-2-yloxymethyl)benzamide
CID 91643878
4-methyl-2-[[(3-methylthiophene-2-carbonyl)amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 63628129

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-3-methylthiophene-2-carboxamide (CID 71981731) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-3-methylthiophene-2-carboxamide is Cc1nc(C)c(S(=O)(=O)NC(=O)c2sccc2C)s1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-3-methylthiophene-2-carboxamide?
The InChIKey is VHQPEMXRZVTWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S3/c1-6-4-5-17-9(6)10(14)13-19(15,16)11-7(2)12-8(3)18-11/h4-5H,1-3H3,(H,13,14).
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-3-methylthiophene-2-carboxamide?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-3-methylthiophene-2-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 71981731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).