3-amino-4-cyano-5-(octan-4-ylamino)thiophene-2-carboxamide

C14H22N4OS — CID 106029310

IUPAC3-amino-4-cyano-5-(octan-4-ylamino)thiophene-2-carboxamide
SMILESCCCCC(CCC)Nc1sc(C(N)=O)c(N)c1C#N
InChIInChI=1S/C14H22N4OS/c1-3-5-7-9(6-4-2)18-14-10(8-15)11(16)12(20-14)13(17)19/h9,18H,3-7,16H2,1-2H3,(H2,17,19)
InChIKeyHCKJUJWZKWVMNW-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.07
Rot. Bonds8

About 3-amino-4-cyano-5-(octan-4-ylamino)thiophene-2-carboxamide

3-amino-4-cyano-5-(octan-4-ylamino)thiophene-2-carboxamide (PubChem CID 106029310) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 3-amino-4-cyano-5-(octan-4-ylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyano-5-(octan-4-ylamino)thiophene-2-carboxamide
PubChem CID106029310
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name3-amino-4-cyano-5-(octan-4-ylamino)thiophene-2-carboxamide
SMILESCCCCC(CCC)Nc1sc(C(N)=O)c(N)c1C#N
InChIInChI=1S/C14H22N4OS/c1-3-5-7-9(6-4-2)18-14-10(8-15)11(16)12(20-14)13(17)19/h9,18H,3-7,16H2,1-2H3,(H2,17,19)
InChIKeyHCKJUJWZKWVMNW-UHFFFAOYSA-N
XLogP3.07
TPSA104.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-amino-4-cyano-5-(octan-4-ylamino)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-4-cyano-N-methyl-5-(octan-4-ylamino)thiophene-2-carboxamide
CID 106029275
3-amino-5-(butylamino)-4-cyanothiophene-2-carboxamide
CID 103425232
methyl 3-amino-4-methylsulfanyl-5-(octan-4-ylamino)thiophene-2-carboxylate
CID 106029271
3-amino-4-cyano-5-(1-pyrrolidin-1-ylpropan-2-ylamino)thiophene-2-carboxamide
CID 103508485
3-amino-4-methoxy-5-(octan-4-ylamino)thiophene-2-carbonitrile
CID 106029269
ethyl 3-amino-4-cyano-5-(1-methoxybutan-2-ylamino)thiophene-2-carboxylate
CID 103508205
3-methyl-5-(octan-4-ylamino)-1,2-thiazole-4-carbonitrile
CID 114138723
3-amino-5-(butylamino)-4-cyano-N-ethylthiophene-2-carboxamide
CID 103425201
3-amino-5-(butylamino)-4-cyano-N-methylthiophene-2-carboxamide
CID 103425215
3-amino-4-cyano-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide
CID 106296507
3-amino-4-cyano-5-[(3-methylcyclopentyl)methylamino]thiophene-2-carboxamide
CID 107416225
3-amino-4-cyano-5-(1-cyclopropylethylamino)-N-propylthiophene-2-carboxamide
CID 103427568

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyano-5-(octan-4-ylamino)thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyano-5-(octan-4-ylamino)thiophene-2-carboxamide (CID 106029310) is 3-amino-4-cyano-5-(octan-4-ylamino)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyano-5-(octan-4-ylamino)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyano-5-(octan-4-ylamino)thiophene-2-carboxamide is CCCCC(CCC)Nc1sc(C(N)=O)c(N)c1C#N.
What is the InChIKey of 3-amino-4-cyano-5-(octan-4-ylamino)thiophene-2-carboxamide?
The InChIKey is HCKJUJWZKWVMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-3-5-7-9(6-4-2)18-14-10(8-15)11(16)12(20-14)13(17)19/h9,18H,3-7,16H2,1-2H3,(H2,17,19).
What are the key properties of 3-amino-4-cyano-5-(octan-4-ylamino)thiophene-2-carboxamide?
3-amino-4-cyano-5-(octan-4-ylamino)thiophene-2-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 3.07, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyano-5-(octan-4-ylamino)thiophene-2-carboxamide is sourced from PubChem (CID 106029310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).