N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

C12H14N4O3S3 — CID 6503288

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)cs2)s1
InChIInChI=1S/C12H14N4O3S3/c1-8-14-15-12(21-8)13-11(17)10-6-9(7-20-10)22(18,19)16-4-2-3-5-16/h6-7H,2-5H2,1H3,(H,13,15,17)
InChIKeyDAWHQTQMRILQGI-UHFFFAOYSA-N
MW358.47 g/mol
LogP1.94
Rot. Bonds4

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide (PubChem CID 6503288) has the molecular formula C12H14N4O3S3 and a molecular weight of 358.47 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
PubChem CID6503288
Molecular FormulaC12H14N4O3S3
Molecular Weight358.47 g/mol
Exact Mass358.02
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)cs2)s1
InChIInChI=1S/C12H14N4O3S3/c1-8-14-15-12(21-8)13-11(17)10-6-9(7-20-10)22(18,19)16-4-2-3-5-16/h6-7H,2-5H2,1H3,(H,13,15,17)
InChIKeyDAWHQTQMRILQGI-UHFFFAOYSA-N
XLogP1.94
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 6503287
4-(azepan-1-ylsulfonyl)-N-methylthiophene-2-carboxamide
CID 6503439
4-piperidin-1-ylsulfonyl-N-propan-2-ylthiophene-2-carboxamide
CID 6503269
N-tert-butyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503315
N-(2,4-dimethylphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503249
4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 26210272
N-(4-chlorophenyl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503298
N-(4-hydroxyphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503247
N-pyridin-3-yl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503342
methyl 4-piperidin-1-ylsulfonylthiophene-2-carboxylate
CID 27245285
2-[(4-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoic acid
CID 6503300
N-(5-methyl-1,2-oxazol-3-yl)-4-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide
CID 6504167

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide (CID 6503288) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide is Cc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)cs2)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
The InChIKey is DAWHQTQMRILQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S3/c1-8-14-15-12(21-8)13-11(17)10-6-9(7-20-10)22(18,19)16-4-2-3-5-16/h6-7H,2-5H2,1H3,(H,13,15,17).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 6503288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).