2-chloro-5-(3-methoxyphenyl)-4-phenyl-1,3-thiazole

C16H12ClNOS — CID 54307577

IUPAC2-chloro-5-(3-methoxyphenyl)-4-phenyl-1,3-thiazole
SMILESCOc1cccc(-c2sc(Cl)nc2-c2ccccc2)c1
InChIInChI=1S/C16H12ClNOS/c1-19-13-9-5-8-12(10-13)15-14(18-16(17)20-15)11-6-3-2-4-7-11/h2-10H,1H3
InChIKeySIPNMHXKFBSRBX-UHFFFAOYSA-N
MW301.80 g/mol
LogP5.14
Rot. Bonds3

About 2-chloro-5-(3-methoxyphenyl)-4-phenyl-1,3-thiazole

2-chloro-5-(3-methoxyphenyl)-4-phenyl-1,3-thiazole (PubChem CID 54307577) has the molecular formula C16H12ClNOS and a molecular weight of 301.80 g/mol. Its IUPAC name is 2-chloro-5-(3-methoxyphenyl)-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-(3-methoxyphenyl)-4-phenyl-1,3-thiazole
PubChem CID54307577
Molecular FormulaC16H12ClNOS
Molecular Weight301.80 g/mol
Exact Mass301.03
IUPAC Name2-chloro-5-(3-methoxyphenyl)-4-phenyl-1,3-thiazole
SMILESCOc1cccc(-c2sc(Cl)nc2-c2ccccc2)c1
InChIInChI=1S/C16H12ClNOS/c1-19-13-9-5-8-12(10-13)15-14(18-16(17)20-15)11-6-3-2-4-7-11/h2-10H,1H3
InChIKeySIPNMHXKFBSRBX-UHFFFAOYSA-N
XLogP5.14
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.80
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-5-(3-methoxyphenyl)-4-phenyl-1,3-thiazole 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-chloro-4-(3-methoxyphenyl)-5-propan-2-yl-1,3-thiazole
CID 160973028
2-(3-methoxyphenyl)-4-phenyl-1,3-thiazol-5-amine
CID 71085692
3-(3-methoxyphenyl)-2,5-diphenylthiophene
CID 86108193
2-chloro-5-(4-methylsulfanylphenyl)-4-phenyl-1,3-thiazole
CID 54283901
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
2-chloro-5-(3-methoxyphenyl)-1,3-thiazole
CID 117259772
2-chloro-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 62942162
2-chloro-1-(3-methoxyphenyl)-4-phenylbenzene
CID 173255261
4-chloro-5-(3-methoxyphenyl)-1,2-thiazol-3-amine
CID 83912621
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
4-chloro-3-iodo-2-(3-methoxyphenyl)quinoline
CID 139213784

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3-methoxyphenyl)-4-phenyl-1,3-thiazole?
The IUPAC name of 2-chloro-5-(3-methoxyphenyl)-4-phenyl-1,3-thiazole (CID 54307577) is 2-chloro-5-(3-methoxyphenyl)-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-(3-methoxyphenyl)-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-chloro-5-(3-methoxyphenyl)-4-phenyl-1,3-thiazole is COc1cccc(-c2sc(Cl)nc2-c2ccccc2)c1.
What is the InChIKey of 2-chloro-5-(3-methoxyphenyl)-4-phenyl-1,3-thiazole?
The InChIKey is SIPNMHXKFBSRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNOS/c1-19-13-9-5-8-12(10-13)15-14(18-16(17)20-15)11-6-3-2-4-7-11/h2-10H,1H3.
What are the key properties of 2-chloro-5-(3-methoxyphenyl)-4-phenyl-1,3-thiazole?
2-chloro-5-(3-methoxyphenyl)-4-phenyl-1,3-thiazole has a molecular weight of 301.80 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3-methoxyphenyl)-4-phenyl-1,3-thiazole is sourced from PubChem (CID 54307577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).