2-(2-chlorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole

C16H19ClN2S — CID 22197700

IUPAC2-(2-chlorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole
SMILESCC1CCN(Cc2csc(-c3ccccc3Cl)n2)CC1
InChIInChI=1S/C16H19ClN2S/c1-12-6-8-19(9-7-12)10-13-11-20-16(18-13)14-4-2-3-5-15(14)17/h2-5,11-12H,6-10H2,1H3
InChIKeyCTFIVUHAHKWXLY-UHFFFAOYSA-N
MW306.86 g/mol
LogP4.70
Rot. Bonds3

About 2-(2-chlorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole

2-(2-chlorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole (PubChem CID 22197700) has the molecular formula C16H19ClN2S and a molecular weight of 306.86 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole
PubChem CID22197700
Molecular FormulaC16H19ClN2S
Molecular Weight306.86 g/mol
Exact Mass306.10
IUPAC Name2-(2-chlorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole
SMILESCC1CCN(Cc2csc(-c3ccccc3Cl)n2)CC1
InChIInChI=1S/C16H19ClN2S/c1-12-6-8-19(9-7-12)10-13-11-20-16(18-13)14-4-2-3-5-15(14)17/h2-5,11-12H,6-10H2,1H3
InChIKeyCTFIVUHAHKWXLY-UHFFFAOYSA-N
XLogP4.70
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.86
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-(2-chlorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole (CID 22197700) is 2-(2-chlorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-(2-chlorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-(2-chlorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole is CC1CCN(Cc2csc(-c3ccccc3Cl)n2)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole?
The InChIKey is CTFIVUHAHKWXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2S/c1-12-6-8-19(9-7-12)10-13-11-20-16(18-13)14-4-2-3-5-15(14)17/h2-5,11-12H,6-10H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole?
2-(2-chlorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole has a molecular weight of 306.86 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 22197700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).