2-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide

C11H17N3OS — CID 110465347

IUPAC2-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NC2CCN(C)CC2)cs1
InChIInChI=1S/C11H17N3OS/c1-8-12-10(7-16-8)11(15)13-9-3-5-14(2)6-4-9/h7,9H,3-6H2,1-2H3,(H,13,15)
InChIKeyLIFZWCBWAVWLHA-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.28
Rot. Bonds2

About 2-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide

2-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 110465347) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID110465347
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NC2CCN(C)CC2)cs1
InChIInChI=1S/C11H17N3OS/c1-8-12-10(7-16-8)11(15)13-9-3-5-14(2)6-4-9/h7,9H,3-6H2,1-2H3,(H,13,15)
InChIKeyLIFZWCBWAVWLHA-UHFFFAOYSA-N
XLogP1.28
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 47445179
N-(1-methylpiperidin-4-yl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 56783188
2-[(3-fluorobenzoyl)amino]-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 46113536
N-[(3S)-1-cycloheptylpiperidin-3-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 25311697
ethane;5-methyl-N-(1-methylpiperidin-4-yl)thiophene-3-carboxamide
CID 145257142
2-amino-N-(1-tert-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 62788760
3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 47114392
N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 100627468
6-ethyl-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 136545760
N-(1-methylpiperidin-4-yl)-1-benzothiophene-3-carboxamide
CID 25236399
2-(aminomethyl)-N-(1-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 66377431
2-(aminomethyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119831852

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide (CID 110465347) is 2-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NC2CCN(C)CC2)cs1.
What is the InChIKey of 2-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is LIFZWCBWAVWLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8-12-10(7-16-8)11(15)13-9-3-5-14(2)6-4-9/h7,9H,3-6H2,1-2H3,(H,13,15).
What are the key properties of 2-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
2-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110465347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).