3-amino-5-(benzylamino)-4-cyano-N-ethylthiophene-2-carboxamide

C15H16N4OS — CID 103424930

IUPAC3-amino-5-(benzylamino)-4-cyano-N-ethylthiophene-2-carboxamide
SMILESCCNC(=O)c1sc(NCc2ccccc2)c(C#N)c1N
InChIInChI=1S/C15H16N4OS/c1-2-18-14(20)13-12(17)11(8-16)15(21-13)19-9-10-6-4-3-5-7-10/h3-7,19H,2,9,17H2,1H3,(H,18,20)
InChIKeyXRFZDRBUVKICHX-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.56
Rot. Bonds5

About 3-amino-5-(benzylamino)-4-cyano-N-ethylthiophene-2-carboxamide

3-amino-5-(benzylamino)-4-cyano-N-ethylthiophene-2-carboxamide (PubChem CID 103424930) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 3-amino-5-(benzylamino)-4-cyano-N-ethylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(benzylamino)-4-cyano-N-ethylthiophene-2-carboxamide
PubChem CID103424930
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name3-amino-5-(benzylamino)-4-cyano-N-ethylthiophene-2-carboxamide
SMILESCCNC(=O)c1sc(NCc2ccccc2)c(C#N)c1N
InChIInChI=1S/C15H16N4OS/c1-2-18-14(20)13-12(17)11(8-16)15(21-13)19-9-10-6-4-3-5-7-10/h3-7,19H,2,9,17H2,1H3,(H,18,20)
InChIKeyXRFZDRBUVKICHX-UHFFFAOYSA-N
XLogP2.56
TPSA90.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-acetyl-4-amino-2-[(4-methylphenyl)methylamino]thiophene-3-carbonitrile
CID 103426327
3-amino-5-(butylamino)-4-cyano-N-ethylthiophene-2-carboxamide
CID 103425201
4-amino-5-propanoyl-2-(pyridin-4-ylmethylamino)thiophene-3-carbonitrile
CID 103426681
3-amino-4-cyano-5-[(2-methylphenyl)methylamino]thiophene-2-carboxamide
CID 103432089
3-amino-4-cyano-N-ethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide
CID 103526086
3-amino-4-cyano-N-prop-2-enyl-5-(thiophen-2-ylmethylamino)thiophene-2-carboxamide
CID 103427234
3-amino-4-cyano-N-prop-2-enyl-5-(1H-pyrazol-4-ylmethylamino)thiophene-2-carboxamide
CID 103434271
3-amino-4-cyano-N-ethyl-5-(piperidin-4-ylamino)thiophene-2-carboxamide
CID 103525501
3-amino-5-(butylamino)-4-cyano-N-methylthiophene-2-carboxamide
CID 103425215
3-amino-4-cyano-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxamide
CID 103507784
4-amino-2-anilino-5-(2-methylidenebutanoyl)thiophene-3-carbonitrile
CID 143283462
methyl 3-amino-4-cyano-5-(2-pyrazol-1-ylethylamino)thiophene-2-carboxylate
CID 103508015

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(benzylamino)-4-cyano-N-ethylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(benzylamino)-4-cyano-N-ethylthiophene-2-carboxamide (CID 103424930) is 3-amino-5-(benzylamino)-4-cyano-N-ethylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(benzylamino)-4-cyano-N-ethylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(benzylamino)-4-cyano-N-ethylthiophene-2-carboxamide is CCNC(=O)c1sc(NCc2ccccc2)c(C#N)c1N.
What is the InChIKey of 3-amino-5-(benzylamino)-4-cyano-N-ethylthiophene-2-carboxamide?
The InChIKey is XRFZDRBUVKICHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-2-18-14(20)13-12(17)11(8-16)15(21-13)19-9-10-6-4-3-5-7-10/h3-7,19H,2,9,17H2,1H3,(H,18,20).
What are the key properties of 3-amino-5-(benzylamino)-4-cyano-N-ethylthiophene-2-carboxamide?
3-amino-5-(benzylamino)-4-cyano-N-ethylthiophene-2-carboxamide has a molecular weight of 300.39 g/mol, XLogP of 2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(benzylamino)-4-cyano-N-ethylthiophene-2-carboxamide is sourced from PubChem (CID 103424930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).