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

C16H12ClNOS — CID 21408740

IUPAC2-chloro-5-[4-(4-methoxyphenyl)phenyl]-1,3-thiazole
SMILESCOc1ccc(-c2ccc(-c3cnc(Cl)s3)cc2)cc1
InChIInChI=1S/C16H12ClNOS/c1-19-14-8-6-12(7-9-14)11-2-4-13(5-3-11)15-10-18-16(17)20-15/h2-10H,1H3
InChIKeyUTWQXZDSDWVYMY-UHFFFAOYSA-N
MW301.80 g/mol
LogP5.14
Rot. Bonds3

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

2-chloro-5-[4-(4-methoxyphenyl)phenyl]-1,3-thiazole (PubChem CID 21408740) has the molecular formula C16H12ClNOS and a molecular weight of 301.80 g/mol. Its IUPAC name is 2-chloro-5-[4-(4-methoxyphenyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[4-(4-methoxyphenyl)phenyl]-1,3-thiazole
PubChem CID21408740
Molecular FormulaC16H12ClNOS
Molecular Weight301.80 g/mol
Exact Mass301.03
IUPAC Name2-chloro-5-[4-(4-methoxyphenyl)phenyl]-1,3-thiazole
SMILESCOc1ccc(-c2ccc(-c3cnc(Cl)s3)cc2)cc1
InChIInChI=1S/C16H12ClNOS/c1-19-14-8-6-12(7-9-14)11-2-4-13(5-3-11)15-10-18-16(17)20-15/h2-10H,1H3
InChIKeyUTWQXZDSDWVYMY-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

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Related Compounds

2-chloro-5-(3-methoxyphenyl)-1,3-thiazole
CID 117259772
1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethanone
CID 166892998
5-(4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole
CID 14531637
2,5-bis[4-(4-methoxyphenyl)phenyl]thiophene
CID 16751334
2-chloro-5-[(4-methoxyphenoxy)methyl]-1,3-thiazole
CID 1484575
[5-(4-methoxyphenyl)thiophen-2-yl]-trimethylsilane
CID 135013894
2,5-bis[5-[4-(4-methoxyphenyl)phenyl]thiophen-2-yl]thiophene
CID 132513911
N-ethyl-5-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 116811972
1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-one
CID 160879816
1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 46785062
5-[4-(4-methoxyphenyl)phenyl]pyrazin-2-amine
CID 25140980
N-[[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-thiophen-2-ylmethanamine
CID 53272360

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[4-(4-methoxyphenyl)phenyl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-[4-(4-methoxyphenyl)phenyl]-1,3-thiazole (CID 21408740) is 2-chloro-5-[4-(4-methoxyphenyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[4-(4-methoxyphenyl)phenyl]-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[4-(4-methoxyphenyl)phenyl]-1,3-thiazole is COc1ccc(-c2ccc(-c3cnc(Cl)s3)cc2)cc1.
What is the InChIKey of 2-chloro-5-[4-(4-methoxyphenyl)phenyl]-1,3-thiazole?
The InChIKey is UTWQXZDSDWVYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNOS/c1-19-14-8-6-12(7-9-14)11-2-4-13(5-3-11)15-10-18-16(17)20-15/h2-10H,1H3.
What are the key properties of 2-chloro-5-[4-(4-methoxyphenyl)phenyl]-1,3-thiazole?
2-chloro-5-[4-(4-methoxyphenyl)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-[4-(4-methoxyphenyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 21408740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).