3-amino-4-methoxy-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide

C12H20N4O2S — CID 103427445

IUPAC3-amino-4-methoxy-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide
SMILESCOc1c(NC2CCN(C)CC2)sc(C(N)=O)c1N
InChIInChI=1S/C12H20N4O2S/c1-16-5-3-7(4-6-16)15-12-9(18-2)8(13)10(19-12)11(14)17/h7,15H,3-6,13H2,1-2H3,(H2,14,17)
InChIKeyJGJCCQSGRPOKHP-UHFFFAOYSA-N
MW284.39 g/mol
LogP0.94
Rot. Bonds4

About 3-amino-4-methoxy-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide

3-amino-4-methoxy-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide (PubChem CID 103427445) has the molecular formula C12H20N4O2S and a molecular weight of 284.39 g/mol. Its IUPAC name is 3-amino-4-methoxy-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-methoxy-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide
PubChem CID103427445
Molecular FormulaC12H20N4O2S
Molecular Weight284.39 g/mol
Exact Mass284.13
IUPAC Name3-amino-4-methoxy-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide
SMILESCOc1c(NC2CCN(C)CC2)sc(C(N)=O)c1N
InChIInChI=1S/C12H20N4O2S/c1-16-5-3-7(4-6-16)15-12-9(18-2)8(13)10(19-12)11(14)17/h7,15H,3-6,13H2,1-2H3,(H2,14,17)
InChIKeyJGJCCQSGRPOKHP-UHFFFAOYSA-N
XLogP0.94
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-4-methoxy-N-methyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide
CID 103427394
3-amino-5-[(4-hydroxycyclohexyl)amino]-4-methoxythiophene-2-carboxamide
CID 103424749
1-[3-amino-4-methoxy-5-(piperidin-4-ylamino)thiophen-2-yl]ethanone
CID 103525555
1-[3-amino-5-(cyclohexylamino)-4-methoxythiophen-2-yl]propan-1-one
CID 103423034
3-amino-5-(cyclopentylamino)-4-methoxy-N-propylthiophene-2-carboxamide
CID 103424004
3,4-diamino-5-(cyclopentylamino)thiophene-2-carboxamide
CID 70956563
3-amino-5-(cyclohexylamino)-4-methoxy-N-propylthiophene-2-carboxamide
CID 103423046
ethyl 3-amino-4-carbamoyl-5-[(1-methylpyrrolidin-3-yl)amino]thiophene-2-carboxylate
CID 103508099
ethyl 4-amino-5-carbamoyl-2-(cyclopropylamino)thiophene-3-carboxylate
CID 103423694
3-amino-5-(cyclopentylamino)thiophene-2,4-dicarboxamide
CID 103423923
1-[3-amino-4-methoxy-5-[(1-methylpyrrolidin-3-yl)methylamino]thiophen-2-yl]-2-methylpropan-1-one
CID 103431127
4-amino-2-[(1-methylpiperidin-4-yl)amino]-5-propanoylthiophene-3-carbonitrile
CID 103427387

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-methoxy-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide (CID 103427445) is 3-amino-4-methoxy-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-methoxy-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-methoxy-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide is COc1c(NC2CCN(C)CC2)sc(C(N)=O)c1N.
What is the InChIKey of 3-amino-4-methoxy-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide?
The InChIKey is JGJCCQSGRPOKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-16-5-3-7(4-6-16)15-12-9(18-2)8(13)10(19-12)11(14)17/h7,15H,3-6,13H2,1-2H3,(H2,14,17).
What are the key properties of 3-amino-4-methoxy-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide?
3-amino-4-methoxy-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide has a molecular weight of 284.39 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide is sourced from PubChem (CID 103427445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).