[4-[2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-cyclopropylmethanone

C19H20ClN3O2S — CID 32889545

IUPAC[4-[2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-cyclopropylmethanone
SMILESCc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C19H20ClN3O2S/c1-12-16(26-17(21-12)14-3-2-4-15(20)11-14)19(25)23-9-7-22(8-10-23)18(24)13-5-6-13/h2-4,11,13H,5-10H2,1H3
InChIKeyASVGAILQDISKOW-UHFFFAOYSA-N
MW389.91 g/mol
LogP3.47
Rot. Bonds3

About [4-[2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-cyclopropylmethanone

[4-[2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-cyclopropylmethanone (PubChem CID 32889545) has the molecular formula C19H20ClN3O2S and a molecular weight of 389.91 g/mol. Its IUPAC name is [4-[2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-[2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-cyclopropylmethanone
PubChem CID32889545
Molecular FormulaC19H20ClN3O2S
Molecular Weight389.91 g/mol
Exact Mass389.10
IUPAC Name[4-[2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-cyclopropylmethanone
SMILESCc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C19H20ClN3O2S/c1-12-16(26-17(21-12)14-3-2-4-15(20)11-14)19(25)23-9-7-22(8-10-23)18(24)13-5-6-13/h2-4,11,13H,5-10H2,1H3
InChIKeyASVGAILQDISKOW-UHFFFAOYSA-N
XLogP3.47
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]ethanone
CID 34839345
cyclopentyl-[4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 38391292
[2-(3-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 24680704
ethyl 1-[2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-3-carboxylate
CID 42922757
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 26721708
[2-(3-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone
CID 55685450
[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 38491382
1-[2-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylic acid
CID 51053925
cyclopropyl-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 32890593
[2-(3-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]methanone
CID 86797102
N'-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 25439328
1-[3-[5-(4-cyclopentylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]phenyl]ethanone
CID 59338641

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-[2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-cyclopropylmethanone (CID 32889545) is [4-[2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-[2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-[2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-cyclopropylmethanone is Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of [4-[2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-cyclopropylmethanone?
The InChIKey is ASVGAILQDISKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2S/c1-12-16(26-17(21-12)14-3-2-4-15(20)11-14)19(25)23-9-7-22(8-10-23)18(24)13-5-6-13/h2-4,11,13H,5-10H2,1H3.
What are the key properties of [4-[2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-cyclopropylmethanone?
[4-[2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-cyclopropylmethanone has a molecular weight of 389.91 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 32889545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).