3-amino-4-cyano-N,N-dimethyl-5-[(4-methylcyclohexyl)amino]thiophene-2-carboxamide

C15H22N4OS — CID 103426595

IUPAC3-amino-4-cyano-N,N-dimethyl-5-[(4-methylcyclohexyl)amino]thiophene-2-carboxamide
SMILESCC1CCC(Nc2sc(C(=O)N(C)C)c(N)c2C#N)CC1
InChIInChI=1S/C15H22N4OS/c1-9-4-6-10(7-5-9)18-14-11(8-16)12(17)13(21-14)15(20)19(2)3/h9-10,18H,4-7,17H2,1-3H3
InChIKeyXSRVYGFQZBSDOF-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.89
Rot. Bonds3

About 3-amino-4-cyano-N,N-dimethyl-5-[(4-methylcyclohexyl)amino]thiophene-2-carboxamide

3-amino-4-cyano-N,N-dimethyl-5-[(4-methylcyclohexyl)amino]thiophene-2-carboxamide (PubChem CID 103426595) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 3-amino-4-cyano-N,N-dimethyl-5-[(4-methylcyclohexyl)amino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyano-N,N-dimethyl-5-[(4-methylcyclohexyl)amino]thiophene-2-carboxamide
PubChem CID103426595
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name3-amino-4-cyano-N,N-dimethyl-5-[(4-methylcyclohexyl)amino]thiophene-2-carboxamide
SMILESCC1CCC(Nc2sc(C(=O)N(C)C)c(N)c2C#N)CC1
InChIInChI=1S/C15H22N4OS/c1-9-4-6-10(7-5-9)18-14-11(8-16)12(17)13(21-14)15(20)19(2)3/h9-10,18H,4-7,17H2,1-3H3
InChIKeyXSRVYGFQZBSDOF-UHFFFAOYSA-N
XLogP2.89
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-cyclopropyl-5-(cyclopropylamino)-N,N-dimethylthiophene-2-carboxamide
CID 103423662
4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carbonitrile
CID 103424692
3-amino-4-cyano-N-ethyl-5-(piperidin-4-ylamino)thiophene-2-carboxamide
CID 103525501
4-amino-5-(2-methylpropanoyl)-2-(piperidin-4-ylamino)thiophene-3-carbonitrile
CID 103525525
3-amino-4-cyano-5-(2,2-difluoroethylamino)-N,N-dimethylthiophene-2-carboxamide
CID 103505773
3-amino-4-cyano-5-[(2-methylcyclopropyl)amino]-N-propylthiophene-2-carboxamide
CID 103526118
4-amino-2-[(1-methylpiperidin-4-yl)amino]-5-propanoylthiophene-3-carbonitrile
CID 103427387
3-amino-4-cyano-5-(3-methoxypyrrolidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
CID 103542422
3-amino-4-cyano-5-(1-methoxypropan-2-ylamino)-N,N-dimethylthiophene-2-carboxamide
CID 103425102
3-amino-4-cyano-5-(3-methoxypropylamino)-N,N-dimethylthiophene-2-carboxamide
CID 103427052
3-amino-4-cyano-N-ethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide
CID 103526086
3-amino-4-cyano-5-(3-hydroxypiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
CID 103417583

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyano-N,N-dimethyl-5-[(4-methylcyclohexyl)amino]thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyano-N,N-dimethyl-5-[(4-methylcyclohexyl)amino]thiophene-2-carboxamide (CID 103426595) is 3-amino-4-cyano-N,N-dimethyl-5-[(4-methylcyclohexyl)amino]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyano-N,N-dimethyl-5-[(4-methylcyclohexyl)amino]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyano-N,N-dimethyl-5-[(4-methylcyclohexyl)amino]thiophene-2-carboxamide is CC1CCC(Nc2sc(C(=O)N(C)C)c(N)c2C#N)CC1.
What is the InChIKey of 3-amino-4-cyano-N,N-dimethyl-5-[(4-methylcyclohexyl)amino]thiophene-2-carboxamide?
The InChIKey is XSRVYGFQZBSDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-9-4-6-10(7-5-9)18-14-11(8-16)12(17)13(21-14)15(20)19(2)3/h9-10,18H,4-7,17H2,1-3H3.
What are the key properties of 3-amino-4-cyano-N,N-dimethyl-5-[(4-methylcyclohexyl)amino]thiophene-2-carboxamide?
3-amino-4-cyano-N,N-dimethyl-5-[(4-methylcyclohexyl)amino]thiophene-2-carboxamide has a molecular weight of 306.44 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyano-N,N-dimethyl-5-[(4-methylcyclohexyl)amino]thiophene-2-carboxamide is sourced from PubChem (CID 103426595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).