2-methyl-N-(1-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide

C12H19N3OS — CID 113265500

IUPAC2-methyl-N-(1-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)NC(C)C2CCCNC2)s1
InChIInChI=1S/C12H19N3OS/c1-8(10-4-3-5-13-6-10)15-12(16)11-7-14-9(2)17-11/h7-8,10,13H,3-6H2,1-2H3,(H,15,16)
InChIKeyIXADXUVFCJASLV-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.57
Rot. Bonds3

About 2-methyl-N-(1-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide

2-methyl-N-(1-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 113265500) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-methyl-N-(1-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(1-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID113265500
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-methyl-N-(1-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)NC(C)C2CCCNC2)s1
InChIInChI=1S/C12H19N3OS/c1-8(10-4-3-5-13-6-10)15-12(16)11-7-14-9(2)17-11/h7-8,10,13H,3-6H2,1-2H3,(H,15,16)
InChIKeyIXADXUVFCJASLV-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-piperidin-3-ylethyl)pyridazine-4-carboxamide
CID 104671340
5-ethyl-N-(1-piperidin-3-ylethyl)thiophene-2-carboxamide
CID 62046557
N-(1-piperidin-3-ylethyl)pyridine-4-carboxamide
CID 62032705
4-methyl-N-(1-piperidin-3-ylethyl)thiophene-3-carboxamide;hydrochloride
CID 119473981
3-methyl-N-(1-piperidin-3-ylethyl)benzamide
CID 43523133
3-methyl-N-(1-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119474248
2-amino-N-(1-piperidin-3-ylethyl)propanamide
CID 131134166
(2R)-2-amino-N-(1-piperidin-3-ylethyl)propanamide
CID 131038230
2-chloro-N-(1-piperidin-3-ylethyl)benzamide
CID 62034679
5-bromo-N-(1-piperidin-3-ylethyl)thiophene-3-carboxamide
CID 113265499
2-hydroxy-3-methyl-N-(1-piperidin-3-ylethyl)benzamide
CID 43523069
3-chloro-5-methyl-N-(1-piperidin-3-ylethyl)benzamide
CID 81322966

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-methyl-N-(1-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide (CID 113265500) is 2-methyl-N-(1-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(1-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-(1-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)NC(C)C2CCCNC2)s1.
What is the InChIKey of 2-methyl-N-(1-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is IXADXUVFCJASLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-8(10-4-3-5-13-6-10)15-12(16)11-7-14-9(2)17-11/h7-8,10,13H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 2-methyl-N-(1-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide?
2-methyl-N-(1-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 113265500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).