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

C16H19ClN2OS — CID 84566839

IUPAC4-(5-chloro-2-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
SMILESCOc1ccc(Cl)cc1-c1csc(CN2CCCCC2)n1
InChIInChI=1S/C16H19ClN2OS/c1-20-15-6-5-12(17)9-13(15)14-11-21-16(18-14)10-19-7-3-2-4-8-19/h5-6,9,11H,2-4,7-8,10H2,1H3
InChIKeyFONUBWLFVQKAQG-UHFFFAOYSA-N
MW322.86 g/mol
LogP4.46
Rot. Bonds4

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

4-(5-chloro-2-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole (PubChem CID 84566839) has the molecular formula C16H19ClN2OS and a molecular weight of 322.86 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
PubChem CID84566839
Molecular FormulaC16H19ClN2OS
Molecular Weight322.86 g/mol
Exact Mass322.09
IUPAC Name4-(5-chloro-2-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
SMILESCOc1ccc(Cl)cc1-c1csc(CN2CCCCC2)n1
InChIInChI=1S/C16H19ClN2OS/c1-20-15-6-5-12(17)9-13(15)14-11-21-16(18-14)10-19-7-3-2-4-8-19/h5-6,9,11H,2-4,7-8,10H2,1H3
InChIKeyFONUBWLFVQKAQG-UHFFFAOYSA-N
XLogP4.46
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.86
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(5-chloro-2-methoxyphenyl)-2-(piperidin-1-ylmethyl)-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

4-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-1,3-thiazole
CID 116969940
2-[4-(5-chloro-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde
CID 116968816
4-(4-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84570130
4-(3-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84570157
4-(4-methoxy-2,6-dimethylphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84566831
4-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]aniline
CID 70524977
N-(5-chloro-2-methoxyphenyl)-2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide
CID 30486227
2-(chloromethyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazole
CID 62922717
6-chloro-3-[4-(5-chloro-2-methoxyphenyl)-1,3-thiazol-2-yl]chromen-2-one
CID 2307482
4-(5-chloro-2-methoxyphenyl)-2-piperidin-2-yl-1,3-thiazole
CID 67357807
1-[2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethyl]pyrrolidin-2-one
CID 51100877
4-naphthalen-2-yl-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84566788

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole?
The IUPAC name of 4-(5-chloro-2-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole (CID 84566839) is 4-(5-chloro-2-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole?
The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole is COc1ccc(Cl)cc1-c1csc(CN2CCCCC2)n1.
What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole?
The InChIKey is FONUBWLFVQKAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2OS/c1-20-15-6-5-12(17)9-13(15)14-11-21-16(18-14)10-19-7-3-2-4-8-19/h5-6,9,11H,2-4,7-8,10H2,1H3.
What are the key properties of 4-(5-chloro-2-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole?
4-(5-chloro-2-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole has a molecular weight of 322.86 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 84566839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).