[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone

C16H17ClN2OS — CID 1472630

IUPAC[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1csc(Cc2ccc(Cl)cc2)n1)N1CCCCC1
InChIInChI=1S/C16H17ClN2OS/c17-13-6-4-12(5-7-13)10-15-18-14(11-21-15)16(20)19-8-2-1-3-9-19/h4-7,11H,1-3,8-10H2
InChIKeyYAGPULHIQXIETH-UHFFFAOYSA-N
MW320.85 g/mol
LogP4.01
Rot. Bonds3

About [2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone

[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone (PubChem CID 1472630) has the molecular formula C16H17ClN2OS and a molecular weight of 320.85 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
PubChem CID1472630
Molecular FormulaC16H17ClN2OS
Molecular Weight320.85 g/mol
Exact Mass320.08
IUPAC Name[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1csc(Cc2ccc(Cl)cc2)n1)N1CCCCC1
InChIInChI=1S/C16H17ClN2OS/c17-13-6-4-12(5-7-13)10-15-18-14(11-21-15)16(20)19-8-2-1-3-9-19/h4-7,11H,1-3,8-10H2
InChIKeyYAGPULHIQXIETH-UHFFFAOYSA-N
XLogP4.01
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone (CID 1472630) is [2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone is O=C(c1csc(Cc2ccc(Cl)cc2)n1)N1CCCCC1.
What is the InChIKey of [2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
The InChIKey is YAGPULHIQXIETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2OS/c17-13-6-4-12(5-7-13)10-15-18-14(11-21-15)16(20)19-8-2-1-3-9-19/h4-7,11H,1-3,8-10H2.
What are the key properties of [2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone has a molecular weight of 320.85 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 1472630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).