N-[2-(1,3-thiazol-2-yl)propan-2-yl]piperidine-3-carboxamide

C12H19N3OS — CID 110471917

IUPACN-[2-(1,3-thiazol-2-yl)propan-2-yl]piperidine-3-carboxamide
SMILESCC(C)(NC(=O)C1CCCNC1)c1nccs1
InChIInChI=1S/C12H19N3OS/c1-12(2,11-14-6-7-17-11)15-10(16)9-4-3-5-13-8-9/h6-7,9,13H,3-5,8H2,1-2H3,(H,15,16)
InChIKeyFYGNELJEXPPVLC-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.49
Rot. Bonds3

About N-[2-(1,3-thiazol-2-yl)propan-2-yl]piperidine-3-carboxamide

N-[2-(1,3-thiazol-2-yl)propan-2-yl]piperidine-3-carboxamide (PubChem CID 110471917) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-[2-(1,3-thiazol-2-yl)propan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-thiazol-2-yl)propan-2-yl]piperidine-3-carboxamide
PubChem CID110471917
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-[2-(1,3-thiazol-2-yl)propan-2-yl]piperidine-3-carboxamide
SMILESCC(C)(NC(=O)C1CCCNC1)c1nccs1
InChIInChI=1S/C12H19N3OS/c1-12(2,11-14-6-7-17-11)15-10(16)9-4-3-5-13-8-9/h6-7,9,13H,3-5,8H2,1-2H3,(H,15,16)
InChIKeyFYGNELJEXPPVLC-UHFFFAOYSA-N
XLogP1.49
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-thiazol-2-yl)butan-2-yl]pyrrolidine-3-carboxamide
CID 119892445
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-3-carboxamide;dihydrochloride
CID 119890048
N-[2-(4-fluorophenyl)propan-2-yl]piperidine-3-carboxamide
CID 110462380
N-tert-butylpiperidine-3-carboxamide;hydrochloride
CID 56832046
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pyrrolidine-3-carboxamide
CID 120939712
4-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]oxolane-3-carboxamide
CID 114130919
2,2,3-trimethyl-3-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid
CID 81133383
N-[2-(4-ethylphenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119337743
3-piperidin-4-yl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]butanamide
CID 119858708
3,3,3-trifluoro-2-methyl-2-[[(3R)-piperidine-3-carbonyl]amino]propanoic acid
CID 81133598
tert-butyl formate;piperidin-3-yl(1,3-thiazol-2-yl)methanone
CID 174721741
N-[2-(3,4-difluorophenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119338110

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-thiazol-2-yl)propan-2-yl]piperidine-3-carboxamide?
The IUPAC name of N-[2-(1,3-thiazol-2-yl)propan-2-yl]piperidine-3-carboxamide (CID 110471917) is N-[2-(1,3-thiazol-2-yl)propan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(1,3-thiazol-2-yl)propan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for N-[2-(1,3-thiazol-2-yl)propan-2-yl]piperidine-3-carboxamide is CC(C)(NC(=O)C1CCCNC1)c1nccs1.
What is the InChIKey of N-[2-(1,3-thiazol-2-yl)propan-2-yl]piperidine-3-carboxamide?
The InChIKey is FYGNELJEXPPVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-12(2,11-14-6-7-17-11)15-10(16)9-4-3-5-13-8-9/h6-7,9,13H,3-5,8H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(1,3-thiazol-2-yl)propan-2-yl]piperidine-3-carboxamide?
N-[2-(1,3-thiazol-2-yl)propan-2-yl]piperidine-3-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-thiazol-2-yl)propan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 110471917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).