N-methyl-2-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide

C14H15N3O2S2 — CID 110110288

IUPACN-methyl-2-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1cnc(C2CCCN2C(=O)c2cccs2)s1
InChIInChI=1S/C14H15N3O2S2/c1-15-12(18)11-8-16-13(21-11)9-4-2-6-17(9)14(19)10-5-3-7-20-10/h3,5,7-9H,2,4,6H2,1H3,(H,15,18)
InChIKeyQSRVGWLIDPWIAD-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.54
Rot. Bonds3

About N-methyl-2-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide

N-methyl-2-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 110110288) has the molecular formula C14H15N3O2S2 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-methyl-2-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID110110288
Molecular FormulaC14H15N3O2S2
Molecular Weight321.43 g/mol
Exact Mass321.06
IUPAC NameN-methyl-2-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1cnc(C2CCCN2C(=O)c2cccs2)s1
InChIInChI=1S/C14H15N3O2S2/c1-15-12(18)11-8-16-13(21-11)9-4-2-6-17(9)14(19)10-5-3-7-20-10/h3,5,7-9H,2,4,6H2,1H3,(H,15,18)
InChIKeyQSRVGWLIDPWIAD-UHFFFAOYSA-N
XLogP2.54
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-1-benzoylpiperidin-2-yl]-N-methyl-1,3-thiazole-5-carboxamide
CID 124972626
2-[(2R)-1-(2,2-dimethylpropanoyl)piperidin-2-yl]-N-methyl-1,3-thiazole-5-carboxamide
CID 125008264
N-methyl-2-(1-pyridin-2-ylpiperidin-2-yl)-1,3-thiazole-5-carboxamide
CID 110095103
N-(4-fluorophenyl)-5-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxamide
CID 53072187
N,N-dimethyl-2-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide
CID 124952535
[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 126855023
[2-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 120866033
N-[[2-[(2S)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124983833
[(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 94475795
N-methyl-7-[(3S)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide
CID 124975853
N-methyl-5-[1-(2H-triazole-4-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 56907734
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone
CID 27126630

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-methyl-2-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide (CID 110110288) is N-methyl-2-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-methyl-2-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-methyl-2-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide is CNC(=O)c1cnc(C2CCCN2C(=O)c2cccs2)s1.
What is the InChIKey of N-methyl-2-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is QSRVGWLIDPWIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S2/c1-15-12(18)11-8-16-13(21-11)9-4-2-6-17(9)14(19)10-5-3-7-20-10/h3,5,7-9H,2,4,6H2,1H3,(H,15,18).
What are the key properties of N-methyl-2-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide?
N-methyl-2-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 321.43 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110110288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).