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

C15H24N4OS — CID 106029275

IUPAC3-amino-4-cyano-N-methyl-5-(octan-4-ylamino)thiophene-2-carboxamide
SMILESCCCCC(CCC)Nc1sc(C(=O)NC)c(N)c1C#N
InChIInChI=1S/C15H24N4OS/c1-4-6-8-10(7-5-2)19-15-11(9-16)12(17)13(21-15)14(20)18-3/h10,19H,4-8,17H2,1-3H3,(H,18,20)
InChIKeyBEEHQJQGCRDRAC-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.33
Rot. Bonds8

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

3-amino-4-cyano-N-methyl-5-(octan-4-ylamino)thiophene-2-carboxamide (PubChem CID 106029275) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 3-amino-4-cyano-N-methyl-5-(octan-4-ylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyano-N-methyl-5-(octan-4-ylamino)thiophene-2-carboxamide
PubChem CID106029275
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name3-amino-4-cyano-N-methyl-5-(octan-4-ylamino)thiophene-2-carboxamide
SMILESCCCCC(CCC)Nc1sc(C(=O)NC)c(N)c1C#N
InChIInChI=1S/C15H24N4OS/c1-4-6-8-10(7-5-2)19-15-11(9-16)12(17)13(21-15)14(20)18-3/h10,19H,4-8,17H2,1-3H3,(H,18,20)
InChIKeyBEEHQJQGCRDRAC-UHFFFAOYSA-N
XLogP3.33
TPSA90.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-amino-4-cyano-N-methyl-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-5-(octan-4-ylamino)thiophene-2-carboxamide
CID 106029310
3-amino-5-(butylamino)-4-cyano-N-methylthiophene-2-carboxamide
CID 103425215
3-amino-4-cyano-5-(3-methoxypropylamino)-N-methylthiophene-2-carboxamide
CID 103426994
3-amino-5-(butylamino)-4-cyano-N-ethylthiophene-2-carboxamide
CID 103425201
methyl 3-amino-4-methylsulfanyl-5-(octan-4-ylamino)thiophene-2-carboxylate
CID 106029271
3-amino-4-cyano-N-methyl-5-(4,4,4-trifluorobutylamino)thiophene-2-carboxamide
CID 103505953
3-amino-4-cyano-N-methyl-5-(5,5,5-trifluoropentylamino)thiophene-2-carboxamide
CID 103506020
3-amino-4-cyano-5-(1-cyclopropylethylamino)-N-propylthiophene-2-carboxamide
CID 103427568
3-amino-5-(butylamino)-4-cyanothiophene-2-carboxamide
CID 103425232
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

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyano-N-methyl-5-(octan-4-ylamino)thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyano-N-methyl-5-(octan-4-ylamino)thiophene-2-carboxamide (CID 106029275) is 3-amino-4-cyano-N-methyl-5-(octan-4-ylamino)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyano-N-methyl-5-(octan-4-ylamino)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyano-N-methyl-5-(octan-4-ylamino)thiophene-2-carboxamide is CCCCC(CCC)Nc1sc(C(=O)NC)c(N)c1C#N.
What is the InChIKey of 3-amino-4-cyano-N-methyl-5-(octan-4-ylamino)thiophene-2-carboxamide?
The InChIKey is BEEHQJQGCRDRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-4-6-8-10(7-5-2)19-15-11(9-16)12(17)13(21-15)14(20)18-3/h10,19H,4-8,17H2,1-3H3,(H,18,20).
What are the key properties of 3-amino-4-cyano-N-methyl-5-(octan-4-ylamino)thiophene-2-carboxamide?
3-amino-4-cyano-N-methyl-5-(octan-4-ylamino)thiophene-2-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 3.33, 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-N-methyl-5-(octan-4-ylamino)thiophene-2-carboxamide is sourced from PubChem (CID 106029275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).