[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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Related Compounds

(3R)-1-[2-(2-chlorophenyl)-1,3-thiazole-5-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124695777
(3S)-1-[2-(2-chlorophenyl)-1,3-thiazole-5-carbonyl]pyrrolidine-3-carboxylic acid
CID 124703630
1-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]ethanone
CID 1477653
(3-aminopiperidin-1-yl)-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]methanone;hydrochloride
CID 119377484
2-(2-chlorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 49372790
2-(2-chlorophenyl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide
CID 49371122
(3S)-4-[2-(2-chlorophenyl)-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid
CID 125153686
N'-(2-chlorobenzoyl)-2-(2-chlorophenyl)-1,3-thiazole-5-carbohydrazide
CID 49371200
N-(3-carbamoyl-4-methylphenyl)-2-(2-chlorophenyl)-1,3-thiazole-5-carboxamide
CID 95172667
2-(2-chlorophenyl)-N'-methyl-N'-phenyl-1,3-thiazole-5-carbohydrazide
CID 51129260
[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 39080567
(2,6-dichloro-4-pyridinyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106313612

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).