3-amino-4-methoxy-5-(1-pyridin-3-ylethylamino)thiophene-2-carbonitrile

C13H14N4OS — CID 103427472

IUPAC3-amino-4-methoxy-5-(1-pyridin-3-ylethylamino)thiophene-2-carbonitrile
SMILESCOc1c(NC(C)c2cccnc2)sc(C#N)c1N
InChIInChI=1S/C13H14N4OS/c1-8(9-4-3-5-16-7-9)17-13-12(18-2)11(15)10(6-14)19-13/h3-5,7-8,17H,15H2,1-2H3
InChIKeyPTZHKQNMANUTJO-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.78
Rot. Bonds4

About 3-amino-4-methoxy-5-(1-pyridin-3-ylethylamino)thiophene-2-carbonitrile

3-amino-4-methoxy-5-(1-pyridin-3-ylethylamino)thiophene-2-carbonitrile (PubChem CID 103427472) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 3-amino-4-methoxy-5-(1-pyridin-3-ylethylamino)thiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-4-methoxy-5-(1-pyridin-3-ylethylamino)thiophene-2-carbonitrile
PubChem CID103427472
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name3-amino-4-methoxy-5-(1-pyridin-3-ylethylamino)thiophene-2-carbonitrile
SMILESCOc1c(NC(C)c2cccnc2)sc(C#N)c1N
InChIInChI=1S/C13H14N4OS/c1-8(9-4-3-5-16-7-9)17-13-12(18-2)11(15)10(6-14)19-13/h3-5,7-8,17H,15H2,1-2H3
InChIKeyPTZHKQNMANUTJO-UHFFFAOYSA-N
XLogP2.78
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-4-cyclopropyl-5-(1-pyridin-3-ylethylamino)thiophene-2-carbonitrile
CID 103427477
4-amino-5-cyano-N-methyl-2-(1-pyridin-3-ylethylamino)thiophene-3-carboxamide
CID 103427475
4-amino-5-propanoyl-2-(1-pyridin-3-ylethylamino)thiophene-3-carbonitrile
CID 103427456
3-amino-4-methylsulfanyl-5-(1-pyridin-4-ylethylamino)thiophene-2-carbonitrile
CID 103427506
2-[[(1S)-1-pyridin-3-ylethyl]amino]acetonitrile
CID 81405202
3-amino-4-cyclopropyl-5-(1-pyridin-4-ylethylamino)thiophene-2-carbonitrile
CID 103427517
2-N-(1-pyridin-3-ylethyl)-1,3-thiazole-2,5-diamine
CID 102767611
3-amino-5-[5-(diethylamino)pentan-2-ylamino]-4-methoxythiophene-2-carbonitrile
CID 103425750
[(1S)-1-pyridin-3-ylethyl]cyanamide
CID 81405112
(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773
3-amino-4-methoxy-5-(octan-4-ylamino)thiophene-2-carbonitrile
CID 106029269
2-N-(1-pyridin-3-ylethyl)pyrimidine-2,5-diamine
CID 61146602

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-5-(1-pyridin-3-ylethylamino)thiophene-2-carbonitrile?
The IUPAC name of 3-amino-4-methoxy-5-(1-pyridin-3-ylethylamino)thiophene-2-carbonitrile (CID 103427472) is 3-amino-4-methoxy-5-(1-pyridin-3-ylethylamino)thiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-4-methoxy-5-(1-pyridin-3-ylethylamino)thiophene-2-carbonitrile?
The canonical SMILES for 3-amino-4-methoxy-5-(1-pyridin-3-ylethylamino)thiophene-2-carbonitrile is COc1c(NC(C)c2cccnc2)sc(C#N)c1N.
What is the InChIKey of 3-amino-4-methoxy-5-(1-pyridin-3-ylethylamino)thiophene-2-carbonitrile?
The InChIKey is PTZHKQNMANUTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-8(9-4-3-5-16-7-9)17-13-12(18-2)11(15)10(6-14)19-13/h3-5,7-8,17H,15H2,1-2H3.
What are the key properties of 3-amino-4-methoxy-5-(1-pyridin-3-ylethylamino)thiophene-2-carbonitrile?
3-amino-4-methoxy-5-(1-pyridin-3-ylethylamino)thiophene-2-carbonitrile has a molecular weight of 274.35 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-5-(1-pyridin-3-ylethylamino)thiophene-2-carbonitrile is sourced from PubChem (CID 103427472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).