N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide

C12H19N3OS — CID 110471916

IUPACN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide
SMILESCc1nc(CCNC(=O)C2CCCNC2)cs1
InChIInChI=1S/C12H19N3OS/c1-9-15-11(8-17-9)4-6-14-12(16)10-3-2-5-13-7-10/h8,10,13H,2-7H2,1H3,(H,14,16)
InChIKeyOGAZIUYXSPJJRD-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.11
Rot. Bonds4

About N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide (PubChem CID 110471916) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide
PubChem CID110471916
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide
SMILESCc1nc(CCNC(=O)C2CCCNC2)cs1
InChIInChI=1S/C12H19N3OS/c1-9-15-11(8-17-9)4-6-14-12(16)10-3-2-5-13-7-10/h8,10,13H,2-7H2,1H3,(H,14,16)
InChIKeyOGAZIUYXSPJJRD-UHFFFAOYSA-N
XLogP1.11
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119841463
4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106041455
N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-3-carboxamide;dihydrochloride
CID 119875284
N-[2-(1H-imidazol-5-yl)ethyl]piperidine-3-carboxamide
CID 65232091
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-3-sulfonamide
CID 106049183
(4S)-3-(cyclopentanecarbonyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 97221660
(3R)-N-(2-thiophen-3-ylethyl)piperidine-3-carboxamide
CID 81140487
4-ethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-2-carboxamide
CID 106047519
2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 103790265
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 103629888
N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide;hydrochloride
CID 119270431
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 77059141

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide (CID 110471916) is N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide is Cc1nc(CCNC(=O)C2CCCNC2)cs1.
What is the InChIKey of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is OGAZIUYXSPJJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-9-15-11(8-17-9)4-6-14-12(16)10-3-2-5-13-7-10/h8,10,13H,2-7H2,1H3,(H,14,16).
What are the key properties of N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide?
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 110471916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).