[5-(3-chlorophenyl)-2-cyclopropyl-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone

C19H21ClN2OS — CID 68614089

IUPAC[5-(3-chlorophenyl)-2-cyclopropyl-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1nc(C2CC2)sc1-c1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2OS/c1-12-5-2-3-10-22(12)19(23)16-17(14-6-4-7-15(20)11-14)24-18(21-16)13-8-9-13/h4,6-7,11-13H,2-3,5,8-10H2,1H3
InChIKeyNHWUKJJSBJTRSV-UHFFFAOYSA-N
MW360.91 g/mol
LogP5.36
Rot. Bonds3

About [5-(3-chlorophenyl)-2-cyclopropyl-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone

[5-(3-chlorophenyl)-2-cyclopropyl-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone (PubChem CID 68614089) has the molecular formula C19H21ClN2OS and a molecular weight of 360.91 g/mol. Its IUPAC name is [5-(3-chlorophenyl)-2-cyclopropyl-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(3-chlorophenyl)-2-cyclopropyl-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
PubChem CID68614089
Molecular FormulaC19H21ClN2OS
Molecular Weight360.91 g/mol
Exact Mass360.11
IUPAC Name[5-(3-chlorophenyl)-2-cyclopropyl-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1nc(C2CC2)sc1-c1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2OS/c1-12-5-2-3-10-22(12)19(23)16-17(14-6-4-7-15(20)11-14)24-18(21-16)13-8-9-13/h4,6-7,11-13H,2-3,5,8-10H2,1H3
InChIKeyNHWUKJJSBJTRSV-UHFFFAOYSA-N
XLogP5.36
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.91
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-cyclopropyl-5-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone
CID 91118545
3-chloro-N-[[(2S)-1-[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]benzamide
CID 25120004
(1-methylindol-3-yl) N-[[(2S)-1-[5-(3-chlorophenyl)-2-cyclopropyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]carbamate
CID 68614470
2,3-dihydro-1,4-benzodioxin-5-yl N-[[(2S)-1-[5-(3-chlorophenyl)-2-cyclopropyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]carbamate
CID 68612600
2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 66867765
N-[[1-[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]naphthalene-1-carboxamide
CID 140553059
[(2S)-2-methylpiperidin-1-yl]-(5-phenylthiadiazol-4-yl)methanone
CID 95739175
N-[[(2S)-1-[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]isoquinoline-1-carboxamide
CID 91046051
N-[[(2S)-1-[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-1,2-benzoxazole-3-carboxamide
CID 91342643
N-[[(2S)-1-[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 25121757
(5-fluoro-1-methylindol-2-yl) N-[[(2S)-1-[2-cyclopropyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl]carbamate
CID 68613855
tert-butyl 4-[5-(3-chlorophenyl)-4-methyl-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 175038811

Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorophenyl)-2-cyclopropyl-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-(3-chlorophenyl)-2-cyclopropyl-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone (CID 68614089) is [5-(3-chlorophenyl)-2-cyclopropyl-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(3-chlorophenyl)-2-cyclopropyl-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(3-chlorophenyl)-2-cyclopropyl-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1nc(C2CC2)sc1-c1cccc(Cl)c1.
What is the InChIKey of [5-(3-chlorophenyl)-2-cyclopropyl-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone?
The InChIKey is NHWUKJJSBJTRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2OS/c1-12-5-2-3-10-22(12)19(23)16-17(14-6-4-7-15(20)11-14)24-18(21-16)13-8-9-13/h4,6-7,11-13H,2-3,5,8-10H2,1H3.
What are the key properties of [5-(3-chlorophenyl)-2-cyclopropyl-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone?
[5-(3-chlorophenyl)-2-cyclopropyl-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone has a molecular weight of 360.91 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chlorophenyl)-2-cyclopropyl-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 68614089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).