4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carbonitrile

C14H19N3O2S — CID 103424692

IUPAC4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carbonitrile
SMILESCCC(=O)c1sc(NC2CCC(O)CC2)c(C#N)c1N
InChIInChI=1S/C14H19N3O2S/c1-2-11(19)13-12(16)10(7-15)14(20-13)17-8-3-5-9(18)6-4-8/h8-9,17-18H,2-6,16H2,1H3
InChIKeyVDDFRRCDQBQFHA-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.51
Rot. Bonds4

About 4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carbonitrile

4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carbonitrile (PubChem CID 103424692) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carbonitrile.

Molecular Properties

Compound Name4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carbonitrile
PubChem CID103424692
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carbonitrile
SMILESCCC(=O)c1sc(NC2CCC(O)CC2)c(C#N)c1N
InChIInChI=1S/C14H19N3O2S/c1-2-11(19)13-12(16)10(7-15)14(20-13)17-8-3-5-9(18)6-4-8/h8-9,17-18H,2-6,16H2,1H3
InChIKeyVDDFRRCDQBQFHA-UHFFFAOYSA-N
XLogP2.51
TPSA99.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-[(1-methylpiperidin-4-yl)amino]-5-propanoylthiophene-3-carbonitrile
CID 103427387
4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carboxamide
CID 103424714
3-amino-4-cyano-N-ethyl-5-(piperidin-4-ylamino)thiophene-2-carboxamide
CID 103525501
3-amino-4-cyano-N,N-dimethyl-5-[(4-methylcyclohexyl)amino]thiophene-2-carboxamide
CID 103426595
4-amino-5-(2-methylpropanoyl)-2-(piperidin-4-ylamino)thiophene-3-carbonitrile
CID 103525525
1-[3-amino-5-(cyclopentylamino)-4-cyclopropylthiophen-2-yl]propan-1-one
CID 103423911
1-[3-amino-5-(cyclobutylamino)-4-cyclopropylthiophen-2-yl]propan-1-one
CID 103525907
1-[3-amino-5-(cyclobutylamino)-4-methylsulfanylthiophen-2-yl]propan-1-one
CID 103525894
4-amino-2-(cycloheptylamino)-5-propanoylthiophene-3-carboxamide
CID 103427111
4-amino-2-[3-(dimethylamino)propylamino]-5-propanoylthiophene-3-carbonitrile
CID 103426163
4-amino-2-(2-piperidin-1-ylethylamino)-5-propanoylthiophene-3-carbonitrile
CID 103508622
1-[3-amino-5-(cyclohexylamino)-4-methoxythiophen-2-yl]propan-1-one
CID 103423034

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carbonitrile?
The IUPAC name of 4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carbonitrile (CID 103424692) is 4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carbonitrile.
What is the SMILES notation for 4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carbonitrile?
The canonical SMILES for 4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carbonitrile is CCC(=O)c1sc(NC2CCC(O)CC2)c(C#N)c1N.
What is the InChIKey of 4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carbonitrile?
The InChIKey is VDDFRRCDQBQFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-2-11(19)13-12(16)10(7-15)14(20-13)17-8-3-5-9(18)6-4-8/h8-9,17-18H,2-6,16H2,1H3.
What are the key properties of 4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carbonitrile?
4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carbonitrile has a molecular weight of 293.39 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carbonitrile is sourced from PubChem (CID 103424692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).