2-(aminomethyl)-5-(2-chlorophenyl)-1,3-thiazole-4-carbonitrile

C11H8ClN3S — CID 82480749

IUPAC2-(aminomethyl)-5-(2-chlorophenyl)-1,3-thiazole-4-carbonitrile
SMILESN#Cc1nc(CN)sc1-c1ccccc1Cl
InChIInChI=1S/C11H8ClN3S/c12-8-4-2-1-3-7(8)11-9(5-13)15-10(6-14)16-11/h1-4H,6,14H2
InChIKeyJQGXAXQKGOBYKJ-UHFFFAOYSA-N
MW249.73 g/mol
LogP2.79
Rot. Bonds2

About 2-(aminomethyl)-5-(2-chlorophenyl)-1,3-thiazole-4-carbonitrile

2-(aminomethyl)-5-(2-chlorophenyl)-1,3-thiazole-4-carbonitrile (PubChem CID 82480749) has the molecular formula C11H8ClN3S and a molecular weight of 249.73 g/mol. Its IUPAC name is 2-(aminomethyl)-5-(2-chlorophenyl)-1,3-thiazole-4-carbonitrile.

Molecular Properties

Compound Name2-(aminomethyl)-5-(2-chlorophenyl)-1,3-thiazole-4-carbonitrile
PubChem CID82480749
Molecular FormulaC11H8ClN3S
Molecular Weight249.73 g/mol
Exact Mass249.01
IUPAC Name2-(aminomethyl)-5-(2-chlorophenyl)-1,3-thiazole-4-carbonitrile
SMILESN#Cc1nc(CN)sc1-c1ccccc1Cl
InChIInChI=1S/C11H8ClN3S/c12-8-4-2-1-3-7(8)11-9(5-13)15-10(6-14)16-11/h1-4H,6,14H2
InChIKeyJQGXAXQKGOBYKJ-UHFFFAOYSA-N
XLogP2.79
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.73
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-5-(2-methylphenyl)-1,3-thiazole-4-carbonitrile
CID 82474151
2-(aminomethyl)-5-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonitrile
CID 82483133
2-(aminomethyl)-5-pyridin-3-yl-1,3-thiazole-4-carbonitrile
CID 82471501
2-(aminomethyl)-5-(4-methoxyphenyl)-1,3-thiazole-4-carbonitrile
CID 82479008
5,6-bis(2-chlorophenyl)pyrazine-2,3-dicarbonitrile
CID 132588447
5-(2-chlorophenyl)-2H-triazole-4-carbonitrile
CID 82377911
2,4-diamino-6-(2-chlorophenyl)pyrimidine-5-carbonitrile
CID 169398559
6-(2-chlorophenyl)pyridine-3-carbonitrile
CID 103579570
5-(2-chlorophenyl)-1,3,4-thiadiazole-2-carbonitrile
CID 164662938
3-amino-5-(2-chlorophenyl)-4-pyridin-4-ylthiophene-2-carbonitrile
CID 80525488
5-(2-chlorophenyl)-2-phenyl-1,3-thiazol-4-amine
CID 22437415
2-(aminomethyl)-4-(5-chloro-2-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 82487442

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-(2-chlorophenyl)-1,3-thiazole-4-carbonitrile?
The IUPAC name of 2-(aminomethyl)-5-(2-chlorophenyl)-1,3-thiazole-4-carbonitrile (CID 82480749) is 2-(aminomethyl)-5-(2-chlorophenyl)-1,3-thiazole-4-carbonitrile.
What is the SMILES notation for 2-(aminomethyl)-5-(2-chlorophenyl)-1,3-thiazole-4-carbonitrile?
The canonical SMILES for 2-(aminomethyl)-5-(2-chlorophenyl)-1,3-thiazole-4-carbonitrile is N#Cc1nc(CN)sc1-c1ccccc1Cl.
What is the InChIKey of 2-(aminomethyl)-5-(2-chlorophenyl)-1,3-thiazole-4-carbonitrile?
The InChIKey is JQGXAXQKGOBYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3S/c12-8-4-2-1-3-7(8)11-9(5-13)15-10(6-14)16-11/h1-4H,6,14H2.
What are the key properties of 2-(aminomethyl)-5-(2-chlorophenyl)-1,3-thiazole-4-carbonitrile?
2-(aminomethyl)-5-(2-chlorophenyl)-1,3-thiazole-4-carbonitrile has a molecular weight of 249.73 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-(2-chlorophenyl)-1,3-thiazole-4-carbonitrile is sourced from PubChem (CID 82480749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).