1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide

C12H19N3OS — CID 136529761

IUPAC1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCc1ncsc1CNC(=O)C1CCN(C)CC1
InChIInChI=1S/C12H19N3OS/c1-9-11(17-8-14-9)7-13-12(16)10-3-5-15(2)6-4-10/h8,10H,3-7H2,1-2H3,(H,13,16)
InChIKeyGJCVKAJZDIBKAK-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.41
Rot. Bonds3

About 1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide

1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 136529761) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID136529761
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCc1ncsc1CNC(=O)C1CCN(C)CC1
InChIInChI=1S/C12H19N3OS/c1-9-11(17-8-14-9)7-13-12(16)10-3-5-15(2)6-4-10/h8,10H,3-7H2,1-2H3,(H,13,16)
InChIKeyGJCVKAJZDIBKAK-UHFFFAOYSA-N
XLogP1.41
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 78941991
4-(cyclopropanecarbonyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepane-1-carboxamide
CID 86802855
2-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide
CID 64822507
2-bromo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63681267
(3R,4R)-4-hydroxy-1-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidine-3-carboxamide
CID 166616622
3-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119877178
5-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427190
N-[(4-methyl-1,3-thiazol-5-yl)methyl]prop-2-ynamide
CID 131203570
N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985646
N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373165
4-bromo-1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrole-2-carboxamide
CID 55171880
1-(2-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 136523864

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide (CID 136529761) is 1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide is Cc1ncsc1CNC(=O)C1CCN(C)CC1.
What is the InChIKey of 1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is GJCVKAJZDIBKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-9-11(17-8-14-9)7-13-12(16)10-3-5-15(2)6-4-10/h8,10H,3-7H2,1-2H3,(H,13,16).
What are the key properties of 1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide?
1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 136529761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).