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

C13H19N3OS — CID 47200504

IUPACN-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2nc(C3CC3)cs2)CC1
InChIInChI=1S/C13H19N3OS/c1-9-4-6-16(7-5-9)13(17)15-12-14-11(8-18-12)10-2-3-10/h8-10H,2-7H2,1H3,(H,14,15,17)
InChIKeyGWMSYMUZIWWECF-UHFFFAOYSA-N
MW265.38 g/mol
LogP3.28
Rot. Bonds2

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

N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylpiperidine-1-carboxamide (PubChem CID 47200504) 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)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylpiperidine-1-carboxamide
PubChem CID47200504
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC NameN-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2nc(C3CC3)cs2)CC1
InChIInChI=1S/C13H19N3OS/c1-9-4-6-16(7-5-9)13(17)15-12-14-11(8-18-12)10-2-3-10/h8-10H,2-7H2,1H3,(H,14,15,17)
InChIKeyGWMSYMUZIWWECF-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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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylpiperidine-1-carboxamide (CID 47200504) is N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)Nc2nc(C3CC3)cs2)CC1.
What is the InChIKey of N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylpiperidine-1-carboxamide?
The InChIKey is GWMSYMUZIWWECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-9-4-6-16(7-5-9)13(17)15-12-14-11(8-18-12)10-2-3-10/h8-10H,2-7H2,1H3,(H,14,15,17).
What are the key properties of N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-methylpiperidine-1-carboxamide?
N-(4-cyclopropyl-1,3-thiazol-2-yl)-4-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)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 47200504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).