1-[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide

C16H15Cl2N3O2S — CID 60600926

IUPAC1-[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)C1
InChIInChI=1S/C16H15Cl2N3O2S/c17-11-4-3-9(6-12(11)18)15-20-13(8-24-15)16(23)21-5-1-2-10(7-21)14(19)22/h3-4,6,8,10H,1-2,5,7H2,(H2,19,22)
InChIKeyRXAXDGJFBRDLDF-UHFFFAOYSA-N
MW384.29 g/mol
LogP3.45
Rot. Bonds3

About 1-[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide

1-[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide (PubChem CID 60600926) has the molecular formula C16H15Cl2N3O2S and a molecular weight of 384.29 g/mol. Its IUPAC name is 1-[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide
PubChem CID60600926
Molecular FormulaC16H15Cl2N3O2S
Molecular Weight384.29 g/mol
Exact Mass383.03
IUPAC Name1-[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)C1
InChIInChI=1S/C16H15Cl2N3O2S/c17-11-4-3-9(6-12(11)18)15-20-13(8-24-15)16(23)21-5-1-2-10(7-21)14(19)22/h3-4,6,8,10H,1-2,5,7H2,(H2,19,22)
InChIKeyRXAXDGJFBRDLDF-UHFFFAOYSA-N
XLogP3.45
TPSA76.29 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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354490
[3-(1-aminoethyl)piperidin-1-yl]-[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119592949
1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119167775
1-(2-methyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
CID 110474094
N-(2-aminoethyl)-1-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide
CID 119481732
(3S)-1-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119112072
1-[2-(4-nitrophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119167916
(3S)-1-[2-(4-nitrophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119174310
(3R)-1-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 99623059
[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119490176
(3R)-N-cyclopropyl-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
CID 94352886
[2-(4-methylphenyl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
CID 17474442

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide (CID 60600926) is 1-[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide is NC(=O)C1CCCN(C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)C1.
What is the InChIKey of 1-[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide?
The InChIKey is RXAXDGJFBRDLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O2S/c17-11-4-3-9(6-12(11)18)15-20-13(8-24-15)16(23)21-5-1-2-10(7-21)14(19)22/h3-4,6,8,10H,1-2,5,7H2,(H2,19,22).
What are the key properties of 1-[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide?
1-[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide has a molecular weight of 384.29 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 60600926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).