3-amino-5-[(4-hydroxycyclohexyl)amino]-4-methoxythiophene-2-carboxamide

C12H19N3O3S — CID 103424749

IUPAC3-amino-5-[(4-hydroxycyclohexyl)amino]-4-methoxythiophene-2-carboxamide
SMILESCOc1c(NC2CCC(O)CC2)sc(C(N)=O)c1N
InChIInChI=1S/C12H19N3O3S/c1-18-9-8(13)10(11(14)17)19-12(9)15-6-2-4-7(16)5-3-6/h6-7,15-16H,2-5,13H2,1H3,(H2,14,17)
InChIKeyKNJRNOQZAUQDDG-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.15
Rot. Bonds4

About 3-amino-5-[(4-hydroxycyclohexyl)amino]-4-methoxythiophene-2-carboxamide

3-amino-5-[(4-hydroxycyclohexyl)amino]-4-methoxythiophene-2-carboxamide (PubChem CID 103424749) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-amino-5-[(4-hydroxycyclohexyl)amino]-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[(4-hydroxycyclohexyl)amino]-4-methoxythiophene-2-carboxamide
PubChem CID103424749
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name3-amino-5-[(4-hydroxycyclohexyl)amino]-4-methoxythiophene-2-carboxamide
SMILESCOc1c(NC2CCC(O)CC2)sc(C(N)=O)c1N
InChIInChI=1S/C12H19N3O3S/c1-18-9-8(13)10(11(14)17)19-12(9)15-6-2-4-7(16)5-3-6/h6-7,15-16H,2-5,13H2,1H3,(H2,14,17)
InChIKeyKNJRNOQZAUQDDG-UHFFFAOYSA-N
XLogP1.15
TPSA110.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-4-methoxy-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide
CID 103427445
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
methyl 5-acetyl-4-amino-2-[(4-hydroxycyclohexyl)amino]thiophene-3-carboxylate
CID 103424711
3-amino-4-methoxy-N-methyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide
CID 103427394
ethyl 4-amino-5-carbamoyl-2-(cyclopropylamino)thiophene-3-carboxylate
CID 103423694
4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carboxamide
CID 103424714
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
3-amino-N-cyclopropyl-4-methoxy-5-(methylamino)thiophene-2-carboxamide
CID 103424225
3-amino-4-methoxy-5-(oxan-2-ylmethylamino)thiophene-2-carboxamide
CID 103508706

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(4-hydroxycyclohexyl)amino]-4-methoxythiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[(4-hydroxycyclohexyl)amino]-4-methoxythiophene-2-carboxamide (CID 103424749) is 3-amino-5-[(4-hydroxycyclohexyl)amino]-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[(4-hydroxycyclohexyl)amino]-4-methoxythiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[(4-hydroxycyclohexyl)amino]-4-methoxythiophene-2-carboxamide is COc1c(NC2CCC(O)CC2)sc(C(N)=O)c1N.
What is the InChIKey of 3-amino-5-[(4-hydroxycyclohexyl)amino]-4-methoxythiophene-2-carboxamide?
The InChIKey is KNJRNOQZAUQDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-18-9-8(13)10(11(14)17)19-12(9)15-6-2-4-7(16)5-3-6/h6-7,15-16H,2-5,13H2,1H3,(H2,14,17).
What are the key properties of 3-amino-5-[(4-hydroxycyclohexyl)amino]-4-methoxythiophene-2-carboxamide?
3-amino-5-[(4-hydroxycyclohexyl)amino]-4-methoxythiophene-2-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 1.15, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(4-hydroxycyclohexyl)amino]-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 103424749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).