5-amino-N,3-dimethyl-4-(pyrrolidine-1-carbonyl)thiophene-2-carboxamide

C12H17N3O2S — CID 64975435

IUPAC5-amino-N,3-dimethyl-4-(pyrrolidine-1-carbonyl)thiophene-2-carboxamide
SMILESCNC(=O)c1sc(N)c(C(=O)N2CCCC2)c1C
InChIInChI=1S/C12H17N3O2S/c1-7-8(12(17)15-5-3-4-6-15)10(13)18-9(7)11(16)14-2/h3-6,13H2,1-2H3,(H,14,16)
InChIKeyKMSPCOHLIHATIA-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.23
Rot. Bonds2

About 5-amino-N,3-dimethyl-4-(pyrrolidine-1-carbonyl)thiophene-2-carboxamide

5-amino-N,3-dimethyl-4-(pyrrolidine-1-carbonyl)thiophene-2-carboxamide (PubChem CID 64975435) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 5-amino-N,3-dimethyl-4-(pyrrolidine-1-carbonyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-amino-N,3-dimethyl-4-(pyrrolidine-1-carbonyl)thiophene-2-carboxamide
PubChem CID64975435
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name5-amino-N,3-dimethyl-4-(pyrrolidine-1-carbonyl)thiophene-2-carboxamide
SMILESCNC(=O)c1sc(N)c(C(=O)N2CCCC2)c1C
InChIInChI=1S/C12H17N3O2S/c1-7-8(12(17)15-5-3-4-6-15)10(13)18-9(7)11(16)14-2/h3-6,13H2,1-2H3,(H,14,16)
InChIKeyKMSPCOHLIHATIA-UHFFFAOYSA-N
XLogP1.23
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Related Compounds

5-amino-N,N,3-trimethyl-4-(piperidine-1-carbonyl)thiophene-2-carboxamide
CID 64975447
5-amino-2-N,2-N,4-N,3-tetramethylthiophene-2,4-dicarboxamide
CID 64975344
[2-amino-5-(2-fluorophenyl)-4-methylthiophen-3-yl]-pyrrolidin-1-ylmethanone
CID 114830957
propan-2-yl 2-amino-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate
CID 64975274
5-amino-2-N-ethyl-3-methylthiophene-2,4-dicarboxamide
CID 64975341
3-amino-4-methoxy-N-methyl-5-pyrrolidin-1-ylthiophene-2-carboxamide
CID 103418885
3-amino-2-N-methyl-5-thiomorpholin-4-ylthiophene-2,4-dicarboxamide
CID 103418473
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 116667406
(2-amino-4,4-dimethyl-6,7-dihydro-5H-1-benzothiophen-3-yl)-pyrrolidin-1-ylmethanone
CID 79840390
5-amino-4-(2,2-dimethylpropanoyl)-3-methyl-N-propan-2-ylthiophene-2-carboxamide
CID 65355092
[4-amino-2-(methylamino)-1,3-thiazol-5-yl]-(azocan-1-yl)methanone
CID 116669119
2-amino-5-carbamoyl-4-methylthiophene-3-carboxylic acid
CID 82397516

Frequently Asked Questions

What is the IUPAC name of 5-amino-N,3-dimethyl-4-(pyrrolidine-1-carbonyl)thiophene-2-carboxamide?
The IUPAC name of 5-amino-N,3-dimethyl-4-(pyrrolidine-1-carbonyl)thiophene-2-carboxamide (CID 64975435) is 5-amino-N,3-dimethyl-4-(pyrrolidine-1-carbonyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-amino-N,3-dimethyl-4-(pyrrolidine-1-carbonyl)thiophene-2-carboxamide?
The canonical SMILES for 5-amino-N,3-dimethyl-4-(pyrrolidine-1-carbonyl)thiophene-2-carboxamide is CNC(=O)c1sc(N)c(C(=O)N2CCCC2)c1C.
What is the InChIKey of 5-amino-N,3-dimethyl-4-(pyrrolidine-1-carbonyl)thiophene-2-carboxamide?
The InChIKey is KMSPCOHLIHATIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-7-8(12(17)15-5-3-4-6-15)10(13)18-9(7)11(16)14-2/h3-6,13H2,1-2H3,(H,14,16).
What are the key properties of 5-amino-N,3-dimethyl-4-(pyrrolidine-1-carbonyl)thiophene-2-carboxamide?
5-amino-N,3-dimethyl-4-(pyrrolidine-1-carbonyl)thiophene-2-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,3-dimethyl-4-(pyrrolidine-1-carbonyl)thiophene-2-carboxamide is sourced from PubChem (CID 64975435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).