[2-(3-chloro-2-pyridinyl)-4-phenyl-1,3-thiazol-5-yl]methanamine

C15H12ClN3S — CID 103445224

IUPAC[2-(3-chloro-2-pyridinyl)-4-phenyl-1,3-thiazol-5-yl]methanamine
SMILESNCc1sc(-c2ncccc2Cl)nc1-c1ccccc1
InChIInChI=1S/C15H12ClN3S/c16-11-7-4-8-18-14(11)15-19-13(12(9-17)20-15)10-5-2-1-3-6-10/h1-8H,9,17H2
InChIKeyXMQBMDAMAHKJNL-UHFFFAOYSA-N
MW301.80 g/mol
LogP3.98
Rot. Bonds3

About [2-(3-chloro-2-pyridinyl)-4-phenyl-1,3-thiazol-5-yl]methanamine

[2-(3-chloro-2-pyridinyl)-4-phenyl-1,3-thiazol-5-yl]methanamine (PubChem CID 103445224) has the molecular formula C15H12ClN3S and a molecular weight of 301.80 g/mol. Its IUPAC name is [2-(3-chloro-2-pyridinyl)-4-phenyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3-chloro-2-pyridinyl)-4-phenyl-1,3-thiazol-5-yl]methanamine
PubChem CID103445224
Molecular FormulaC15H12ClN3S
Molecular Weight301.80 g/mol
Exact Mass301.04
IUPAC Name[2-(3-chloro-2-pyridinyl)-4-phenyl-1,3-thiazol-5-yl]methanamine
SMILESNCc1sc(-c2ncccc2Cl)nc1-c1ccccc1
InChIInChI=1S/C15H12ClN3S/c16-11-7-4-8-18-14(11)15-19-13(12(9-17)20-15)10-5-2-1-3-6-10/h1-8H,9,17H2
InChIKeyXMQBMDAMAHKJNL-UHFFFAOYSA-N
XLogP3.98
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.80
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(3-chloro-2-pyridinyl)-4-phenyl-1,3-thiazol-5-yl]methanamine 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

[2-(2-chloro-4-fluorophenyl)-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 81177760
[2-(3-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 82903660
[2-(3-bromo-5-fluorophenyl)-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 81177395
5-(chloromethyl)-2,4-diphenyl-1,3-thiazole
CID 28709890
(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)methanamine
CID 28709445
[2-[(4-chlorophenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 81177501
2-(3-chloro-2-pyridinyl)-5-iodo-6-phenylpyrimidin-4-amine
CID 103445120
3-chloro-2-phenylpyridine;2-methylpropanoic acid
CID 174792779
[2-(3-methyl-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 113497248
(2-cyclopropyl-4-phenyl-1,3-thiazol-5-yl)methanamine
CID 81174347
(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine
CID 62765688
(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine
CID 2795495

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-2-pyridinyl)-4-phenyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(3-chloro-2-pyridinyl)-4-phenyl-1,3-thiazol-5-yl]methanamine (CID 103445224) is [2-(3-chloro-2-pyridinyl)-4-phenyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(3-chloro-2-pyridinyl)-4-phenyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(3-chloro-2-pyridinyl)-4-phenyl-1,3-thiazol-5-yl]methanamine is NCc1sc(-c2ncccc2Cl)nc1-c1ccccc1.
What is the InChIKey of [2-(3-chloro-2-pyridinyl)-4-phenyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is XMQBMDAMAHKJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3S/c16-11-7-4-8-18-14(11)15-19-13(12(9-17)20-15)10-5-2-1-3-6-10/h1-8H,9,17H2.
What are the key properties of [2-(3-chloro-2-pyridinyl)-4-phenyl-1,3-thiazol-5-yl]methanamine?
[2-(3-chloro-2-pyridinyl)-4-phenyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 301.80 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-2-pyridinyl)-4-phenyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 103445224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).