N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide

C13H19N3OS — CID 47200519

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)Nc2nc(C3CC3)cs2)C1
InChIInChI=1S/C13H19N3OS/c1-9-3-2-6-16(7-9)13(17)15-12-14-11(8-18-12)10-4-5-10/h8-10H,2-7H2,1H3,(H,14,15,17)
InChIKeyKKXLAQBURWUVJC-UHFFFAOYSA-N
MW265.38 g/mol
LogP3.28
Rot. Bonds2

About N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide

N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide (PubChem CID 47200519) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide
PubChem CID47200519
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)Nc2nc(C3CC3)cs2)C1
InChIInChI=1S/C13H19N3OS/c1-9-3-2-6-16(7-9)13(17)15-12-14-11(8-18-12)10-4-5-10/h8-10H,2-7H2,1H3,(H,14,15,17)
InChIKeyKKXLAQBURWUVJC-UHFFFAOYSA-N
XLogP3.28
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylpiperidine-1-carboxamide
CID 47200504
1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 61480503
N-(4-cyclopropyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 47200518
(3R)-1-benzoyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 98914630
N-[4-[1-[2-(dimethylamino)acetyl]piperidin-3-yl]-1,3-thiazol-2-yl]acetamide
CID 110258692
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylpiperidine-2-carboxamide
CID 114423810
(3S)-1-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81118220
(3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97078503
N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 32868205
(2S)-2-acetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide
CID 32864950
(2R)-2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)pentanamide
CID 103795479
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-oxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrimidine-1-carboxamide
CID 167967192

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide (CID 47200519) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide is CC1CCCN(C(=O)Nc2nc(C3CC3)cs2)C1.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide?
The InChIKey is KKXLAQBURWUVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-9-3-2-6-16(7-9)13(17)15-12-14-11(8-18-12)10-4-5-10/h8-10H,2-7H2,1H3,(H,14,15,17).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide has a molecular weight of 265.38 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 47200519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).