4-phenyl-2-(pyridin-2-ylmethyl)-1,3-thiazole

C15H12N2S — CID 31263387

IUPAC4-phenyl-2-(pyridin-2-ylmethyl)-1,3-thiazole
SMILESc1ccc(-c2csc(Cc3ccccn3)n2)cc1
InChIInChI=1S/C15H12N2S/c1-2-6-12(7-3-1)14-11-18-15(17-14)10-13-8-4-5-9-16-13/h1-9,11H,10H2
InChIKeyAMXMQZSHPQIVRO-UHFFFAOYSA-N
MW252.34 g/mol
LogP3.80
Rot. Bonds3

About 4-phenyl-2-(pyridin-2-ylmethyl)-1,3-thiazole

4-phenyl-2-(pyridin-2-ylmethyl)-1,3-thiazole (PubChem CID 31263387) has the molecular formula C15H12N2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 4-phenyl-2-(pyridin-2-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-phenyl-2-(pyridin-2-ylmethyl)-1,3-thiazole
PubChem CID31263387
Molecular FormulaC15H12N2S
Molecular Weight252.34 g/mol
Exact Mass252.07
IUPAC Name4-phenyl-2-(pyridin-2-ylmethyl)-1,3-thiazole
SMILESc1ccc(-c2csc(Cc3ccccn3)n2)cc1
InChIInChI=1S/C15H12N2S/c1-2-6-12(7-3-1)14-11-18-15(17-14)10-13-8-4-5-9-16-13/h1-9,11H,10H2
InChIKeyAMXMQZSHPQIVRO-UHFFFAOYSA-N
XLogP3.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]benzonitrile
CID 63152380
4-(3,4-dimethoxyphenyl)-2-(pyridin-2-ylmethyl)-1,3-thiazole
CID 31263481
2-[(6-bromo-2-pyridinyl)methyl]-4-phenyl-1,3-thiazole
CID 79817242
4-phenyl-2-(pyridin-2-ylmethylsulfanyl)-1,3-thiazole
CID 71899247
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole
CID 16566864
morpholin-4-yl-[4-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]phenyl]methanone
CID 159923241
2-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)-4-phenyl-1,3-thiazole
CID 139068907
2-[(4-fluorophenyl)methyl]-4-phenyl-1,3-thiazole
CID 47173323
2-methyl-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111194719
[4-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152013
4-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine
CID 79817613
O-[(4-phenyl-1,3-thiazol-2-yl)methyl]hydroxylamine
CID 39241198

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(pyridin-2-ylmethyl)-1,3-thiazole?
The IUPAC name of 4-phenyl-2-(pyridin-2-ylmethyl)-1,3-thiazole (CID 31263387) is 4-phenyl-2-(pyridin-2-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-phenyl-2-(pyridin-2-ylmethyl)-1,3-thiazole?
The canonical SMILES for 4-phenyl-2-(pyridin-2-ylmethyl)-1,3-thiazole is c1ccc(-c2csc(Cc3ccccn3)n2)cc1.
What is the InChIKey of 4-phenyl-2-(pyridin-2-ylmethyl)-1,3-thiazole?
The InChIKey is AMXMQZSHPQIVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2S/c1-2-6-12(7-3-1)14-11-18-15(17-14)10-13-8-4-5-9-16-13/h1-9,11H,10H2.
What are the key properties of 4-phenyl-2-(pyridin-2-ylmethyl)-1,3-thiazole?
4-phenyl-2-(pyridin-2-ylmethyl)-1,3-thiazole has a molecular weight of 252.34 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(pyridin-2-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 31263387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).