[2-(2-chlorophenyl)-1,3-thiazol-5-yl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone

C16H15ClN2OS — CID 100656442

IUPAC[2-(2-chlorophenyl)-1,3-thiazol-5-yl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCC1=CCCN(C(=O)c2cnc(-c3ccccc3Cl)s2)C1
InChIInChI=1S/C16H15ClN2OS/c1-11-5-4-8-19(10-11)16(20)14-9-18-15(21-14)12-6-2-3-7-13(12)17/h2-3,5-7,9H,4,8,10H2,1H3
InChIKeyLPPOUELTCHTLRQ-UHFFFAOYSA-N
MW318.83 g/mol
LogP4.26
Rot. Bonds2

About [2-(2-chlorophenyl)-1,3-thiazol-5-yl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone

[2-(2-chlorophenyl)-1,3-thiazol-5-yl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 100656442) has the molecular formula C16H15ClN2OS and a molecular weight of 318.83 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-1,3-thiazol-5-yl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-1,3-thiazol-5-yl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID100656442
Molecular FormulaC16H15ClN2OS
Molecular Weight318.83 g/mol
Exact Mass318.06
IUPAC Name[2-(2-chlorophenyl)-1,3-thiazol-5-yl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCC1=CCCN(C(=O)c2cnc(-c3ccccc3Cl)s2)C1
InChIInChI=1S/C16H15ClN2OS/c1-11-5-4-8-19(10-11)16(20)14-9-18-15(21-14)12-6-2-3-7-13(12)17/h2-3,5-7,9H,4,8,10H2,1H3
InChIKeyLPPOUELTCHTLRQ-UHFFFAOYSA-N
XLogP4.26
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-1,3-thiazol-5-yl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of [2-(2-chlorophenyl)-1,3-thiazol-5-yl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 100656442) is [2-(2-chlorophenyl)-1,3-thiazol-5-yl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for [2-(2-chlorophenyl)-1,3-thiazol-5-yl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for [2-(2-chlorophenyl)-1,3-thiazol-5-yl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone is CC1=CCCN(C(=O)c2cnc(-c3ccccc3Cl)s2)C1.
What is the InChIKey of [2-(2-chlorophenyl)-1,3-thiazol-5-yl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is LPPOUELTCHTLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2OS/c1-11-5-4-8-19(10-11)16(20)14-9-18-15(21-14)12-6-2-3-7-13(12)17/h2-3,5-7,9H,4,8,10H2,1H3.
What are the key properties of [2-(2-chlorophenyl)-1,3-thiazol-5-yl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
[2-(2-chlorophenyl)-1,3-thiazol-5-yl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 318.83 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-1,3-thiazol-5-yl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 100656442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).