2-(3,4-dichlorophenyl)-N-(1-methyl-2-oxopiperidin-4-yl)-1,3-thiazole-4-carboxamide

C16H15Cl2N3O2S — CID 126773759

IUPAC2-(3,4-dichlorophenyl)-N-(1-methyl-2-oxopiperidin-4-yl)-1,3-thiazole-4-carboxamide
SMILESCN1CCC(NC(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)CC1=O
InChIInChI=1S/C16H15Cl2N3O2S/c1-21-5-4-10(7-14(21)22)19-15(23)13-8-24-16(20-13)9-2-3-11(17)12(18)6-9/h2-3,6,8,10H,4-5,7H2,1H3,(H,19,23)
InChIKeyOVEYGBAAILFNHC-UHFFFAOYSA-N
MW384.29 g/mol
LogP3.47
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-N-(1-methyl-2-oxopiperidin-4-yl)-1,3-thiazole-4-carboxamide

2-(3,4-dichlorophenyl)-N-(1-methyl-2-oxopiperidin-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 126773759) has the molecular formula C16H15Cl2N3O2S and a molecular weight of 384.29 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-(1-methyl-2-oxopiperidin-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-(1-methyl-2-oxopiperidin-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID126773759
Molecular FormulaC16H15Cl2N3O2S
Molecular Weight384.29 g/mol
Exact Mass383.03
IUPAC Name2-(3,4-dichlorophenyl)-N-(1-methyl-2-oxopiperidin-4-yl)-1,3-thiazole-4-carboxamide
SMILESCN1CCC(NC(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)CC1=O
InChIInChI=1S/C16H15Cl2N3O2S/c1-21-5-4-10(7-14(21)22)19-15(23)13-8-24-16(20-13)9-2-3-11(17)12(18)6-9/h2-3,6,8,10H,4-5,7H2,1H3,(H,19,23)
InChIKeyOVEYGBAAILFNHC-UHFFFAOYSA-N
XLogP3.47
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.29
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-cyclopropyl-1,3-thiazole-4-carboxamide
CID 26736860
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CID 27673424
2-(3,4-dimethoxyphenyl)-N-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 24633525
2-(4-chlorophenyl)-N-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 46455913
6-(2-chlorophenyl)sulfanyl-N-(1-methyl-2-oxopiperidin-4-yl)pyridazine-3-carboxamide
CID 102562430
N-(1-benzylpyrrolidin-3-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 18291363
2-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 110465347
1-[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354490
2-phenyl-N-[(5R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-4-carboxamide
CID 124759639
3,4-dichloro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
CID 110736500
cis-(1S,3R)-3-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676152
[3-(1-aminoethyl)piperidin-1-yl]-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119592949

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-(1-methyl-2-oxopiperidin-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-(1-methyl-2-oxopiperidin-4-yl)-1,3-thiazole-4-carboxamide (CID 126773759) is 2-(3,4-dichlorophenyl)-N-(1-methyl-2-oxopiperidin-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-(1-methyl-2-oxopiperidin-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-(1-methyl-2-oxopiperidin-4-yl)-1,3-thiazole-4-carboxamide is CN1CCC(NC(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)CC1=O.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-(1-methyl-2-oxopiperidin-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is OVEYGBAAILFNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O2S/c1-21-5-4-10(7-14(21)22)19-15(23)13-8-24-16(20-13)9-2-3-11(17)12(18)6-9/h2-3,6,8,10H,4-5,7H2,1H3,(H,19,23).
What are the key properties of 2-(3,4-dichlorophenyl)-N-(1-methyl-2-oxopiperidin-4-yl)-1,3-thiazole-4-carboxamide?
2-(3,4-dichlorophenyl)-N-(1-methyl-2-oxopiperidin-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 384.29 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-(1-methyl-2-oxopiperidin-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 126773759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).