4-amino-N-methyl-5-propanoyl-2-(prop-2-enylamino)thiophene-3-carboxamide

C12H17N3O2S — CID 103510041

IUPAC4-amino-N-methyl-5-propanoyl-2-(prop-2-enylamino)thiophene-3-carboxamide
SMILESC=CCNc1sc(C(=O)CC)c(N)c1C(=O)NC
InChIInChI=1S/C12H17N3O2S/c1-4-6-15-12-8(11(17)14-3)9(13)10(18-12)7(16)5-2/h4,15H,1,5-6,13H2,2-3H3,(H,14,17)
InChIKeyGIGWQYJJLWWWFH-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.88
Rot. Bonds6

About 4-amino-N-methyl-5-propanoyl-2-(prop-2-enylamino)thiophene-3-carboxamide

4-amino-N-methyl-5-propanoyl-2-(prop-2-enylamino)thiophene-3-carboxamide (PubChem CID 103510041) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 4-amino-N-methyl-5-propanoyl-2-(prop-2-enylamino)thiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-5-propanoyl-2-(prop-2-enylamino)thiophene-3-carboxamide
PubChem CID103510041
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name4-amino-N-methyl-5-propanoyl-2-(prop-2-enylamino)thiophene-3-carboxamide
SMILESC=CCNc1sc(C(=O)CC)c(N)c1C(=O)NC
InChIInChI=1S/C12H17N3O2S/c1-4-6-15-12-8(11(17)14-3)9(13)10(18-12)7(16)5-2/h4,15H,1,5-6,13H2,2-3H3,(H,14,17)
InChIKeyGIGWQYJJLWWWFH-UHFFFAOYSA-N
XLogP1.88
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 4-amino-5-propanoyl-2-(prop-2-enylamino)thiophene-3-carboxylate
CID 103510086
4-amino-N-methyl-2-(2-methylsulfonylethylamino)-5-propanoylthiophene-3-carboxamide
CID 103432192
4-amino-N-methyl-2-(3-methylbutylamino)-5-propanoylthiophene-3-carboxamide
CID 103425607
ethyl 3-amino-4-carbamoyl-5-(prop-2-enylamino)thiophene-2-carboxylate
CID 103510123
3-amino-4-N-methyl-5-(propan-2-ylamino)-2-N-prop-2-enylthiophene-2,4-dicarboxamide
CID 103423232
3-amino-5-(butan-2-ylamino)-4-N-methyl-2-N-prop-2-enylthiophene-2,4-dicarboxamide
CID 103423511
4-amino-N-methyl-2-(1,2,4-oxadiazol-3-ylmethylamino)-5-propanoylthiophene-3-carboxamide
CID 106412904
4-amino-2-(ethylamino)-5-propanoylthiophene-3-carboxamide
CID 103424451
3-amino-2-N,2-N,4-N-trimethyl-5-(propylamino)thiophene-2,4-dicarboxamide
CID 103423183
methyl 4-amino-2-(2-methoxyethylamino)-5-propanoylthiophene-3-carboxylate
CID 103423447
5-acetyl-4-amino-2-(2-fluoroethylamino)-N-methylthiophene-3-carboxamide
CID 114267286
3-amino-2-N,4-N-dimethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide
CID 103432242

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-5-propanoyl-2-(prop-2-enylamino)thiophene-3-carboxamide?
The IUPAC name of 4-amino-N-methyl-5-propanoyl-2-(prop-2-enylamino)thiophene-3-carboxamide (CID 103510041) is 4-amino-N-methyl-5-propanoyl-2-(prop-2-enylamino)thiophene-3-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-5-propanoyl-2-(prop-2-enylamino)thiophene-3-carboxamide?
The canonical SMILES for 4-amino-N-methyl-5-propanoyl-2-(prop-2-enylamino)thiophene-3-carboxamide is C=CCNc1sc(C(=O)CC)c(N)c1C(=O)NC.
What is the InChIKey of 4-amino-N-methyl-5-propanoyl-2-(prop-2-enylamino)thiophene-3-carboxamide?
The InChIKey is GIGWQYJJLWWWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-4-6-15-12-8(11(17)14-3)9(13)10(18-12)7(16)5-2/h4,15H,1,5-6,13H2,2-3H3,(H,14,17).
What are the key properties of 4-amino-N-methyl-5-propanoyl-2-(prop-2-enylamino)thiophene-3-carboxamide?
4-amino-N-methyl-5-propanoyl-2-(prop-2-enylamino)thiophene-3-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 1.88, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-5-propanoyl-2-(prop-2-enylamino)thiophene-3-carboxamide is sourced from PubChem (CID 103510041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).