4-chloro-2-(1-pyridin-4-ylethylamino)-1,3-thiazole-5-carbonitrile

C11H9ClN4S — CID 106595169

IUPAC4-chloro-2-(1-pyridin-4-ylethylamino)-1,3-thiazole-5-carbonitrile
SMILESCC(Nc1nc(Cl)c(C#N)s1)c1ccncc1
InChIInChI=1S/C11H9ClN4S/c1-7(8-2-4-14-5-3-8)15-11-16-10(12)9(6-13)17-11/h2-5,7H,1H3,(H,15,16)
InChIKeyHPHBXSNCVSDETI-UHFFFAOYSA-N
MW264.74 g/mol
LogP3.24
Rot. Bonds3

About 4-chloro-2-(1-pyridin-4-ylethylamino)-1,3-thiazole-5-carbonitrile

4-chloro-2-(1-pyridin-4-ylethylamino)-1,3-thiazole-5-carbonitrile (PubChem CID 106595169) has the molecular formula C11H9ClN4S and a molecular weight of 264.74 g/mol. Its IUPAC name is 4-chloro-2-(1-pyridin-4-ylethylamino)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-2-(1-pyridin-4-ylethylamino)-1,3-thiazole-5-carbonitrile
PubChem CID106595169
Molecular FormulaC11H9ClN4S
Molecular Weight264.74 g/mol
Exact Mass264.02
IUPAC Name4-chloro-2-(1-pyridin-4-ylethylamino)-1,3-thiazole-5-carbonitrile
SMILESCC(Nc1nc(Cl)c(C#N)s1)c1ccncc1
InChIInChI=1S/C11H9ClN4S/c1-7(8-2-4-14-5-3-8)15-11-16-10(12)9(6-13)17-11/h2-5,7H,1H3,(H,15,16)
InChIKeyHPHBXSNCVSDETI-UHFFFAOYSA-N
XLogP3.24
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.74
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-bromophenyl)ethylamino]-4-chloro-1,3-thiazole-5-carbonitrile
CID 106595398
4-chloro-2-[1-(1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-5-carbonitrile
CID 106595609
2-(butan-2-ylamino)-4-chloro-1,3-thiazole-5-carbonitrile
CID 106594979
4-chloro-2-[[(2R)-4-phenylbutan-2-yl]amino]-1,3-thiazole-5-carbonitrile
CID 7100783
4-chloro-2-[1-(1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-carbonitrile
CID 106595608
4-chloro-2-(1-thiophen-2-ylpropylamino)-1,3-thiazole-5-carbonitrile
CID 106595404
2-[(1-amino-3-methylbutan-2-yl)amino]-4-chloro-1,3-thiazole-5-carbonitrile
CID 106596046
5-chloro-N-(1-pyridin-4-ylethyl)-1,3-benzothiazol-2-amine
CID 43524200
2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-3-methylbutanamide
CID 107257888
3-amino-4-methylsulfanyl-5-(1-pyridin-4-ylethylamino)thiophene-2-carbonitrile
CID 103427506
3-amino-4-cyclopropyl-5-(1-pyridin-4-ylethylamino)thiophene-2-carbonitrile
CID 103427517
4-chloro-N-(1-pyridin-4-ylethyl)-1,2,5-thiadiazol-3-amine
CID 43808288

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-pyridin-4-ylethylamino)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-chloro-2-(1-pyridin-4-ylethylamino)-1,3-thiazole-5-carbonitrile (CID 106595169) is 4-chloro-2-(1-pyridin-4-ylethylamino)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-chloro-2-(1-pyridin-4-ylethylamino)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-chloro-2-(1-pyridin-4-ylethylamino)-1,3-thiazole-5-carbonitrile is CC(Nc1nc(Cl)c(C#N)s1)c1ccncc1.
What is the InChIKey of 4-chloro-2-(1-pyridin-4-ylethylamino)-1,3-thiazole-5-carbonitrile?
The InChIKey is HPHBXSNCVSDETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4S/c1-7(8-2-4-14-5-3-8)15-11-16-10(12)9(6-13)17-11/h2-5,7H,1H3,(H,15,16).
What are the key properties of 4-chloro-2-(1-pyridin-4-ylethylamino)-1,3-thiazole-5-carbonitrile?
4-chloro-2-(1-pyridin-4-ylethylamino)-1,3-thiazole-5-carbonitrile has a molecular weight of 264.74 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-pyridin-4-ylethylamino)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 106595169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).