N-(4-acetyl-1,3-thiazol-2-yl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide

C16H17ClN4O2S — CID 38969415

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
SMILESCC(=O)c1csc(NC(=O)C2CCN(c3ccc(Cl)cn3)CC2)n1
InChIInChI=1S/C16H17ClN4O2S/c1-10(22)13-9-24-16(19-13)20-15(23)11-4-6-21(7-5-11)14-3-2-12(17)8-18-14/h2-3,8-9,11H,4-7H2,1H3,(H,19,20,23)
InChIKeySDHHJAONEQEEPX-UHFFFAOYSA-N
MW364.86 g/mol
LogP3.25
Rot. Bonds4

About N-(4-acetyl-1,3-thiazol-2-yl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide

N-(4-acetyl-1,3-thiazol-2-yl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 38969415) has the molecular formula C16H17ClN4O2S and a molecular weight of 364.86 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
PubChem CID38969415
Molecular FormulaC16H17ClN4O2S
Molecular Weight364.86 g/mol
Exact Mass364.08
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
SMILESCC(=O)c1csc(NC(=O)C2CCN(c3ccc(Cl)cn3)CC2)n1
InChIInChI=1S/C16H17ClN4O2S/c1-10(22)13-9-24-16(19-13)20-15(23)11-4-6-21(7-5-11)14-3-2-12(17)8-18-14/h2-3,8-9,11H,4-7H2,1H3,(H,19,20,23)
InChIKeySDHHJAONEQEEPX-UHFFFAOYSA-N
XLogP3.25
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.86
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 132970054
1-(5-chloro-2-pyridinyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 55687112
N-(2-chlorophenyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 38952409
1-(5-chloro-2-pyridinyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71935267
methyl 2-[[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]amino]thiophene-3-carboxylate
CID 55876832
methyl 3-[[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]amino]thiophene-2-carboxylate
CID 38967933
1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid
CID 16787048
N-(4-acetyl-1,3-thiazol-2-yl)oxane-4-carboxamide
CID 30472924
1-(5-chloro-2-pyridinyl)-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
CID 39394641
1-(5-chloro-2-pyridinyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)piperidine-4-carboxamide
CID 126781633
S-[4-[[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56579710
N-[(4-chlorophenyl)methyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 39705993

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide (CID 38969415) is N-(4-acetyl-1,3-thiazol-2-yl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide is CC(=O)c1csc(NC(=O)C2CCN(c3ccc(Cl)cn3)CC2)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is SDHHJAONEQEEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2S/c1-10(22)13-9-24-16(19-13)20-15(23)11-4-6-21(7-5-11)14-3-2-12(17)8-18-14/h2-3,8-9,11H,4-7H2,1H3,(H,19,20,23).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
N-(4-acetyl-1,3-thiazol-2-yl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 364.86 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 38969415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).