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

C11H17N3OS — CID 63049614

IUPACN-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCN1CCCC(CNC(=O)c2cscn2)C1
InChIInChI=1S/C11H17N3OS/c1-14-4-2-3-9(6-14)5-12-11(15)10-7-16-8-13-10/h7-9H,2-6H2,1H3,(H,12,15)
InChIKeyGXDFVZSCWZCTAR-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.21
Rot. Bonds3

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

N-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 63049614) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is N-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID63049614
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC NameN-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCN1CCCC(CNC(=O)c2cscn2)C1
InChIInChI=1S/C11H17N3OS/c1-14-4-2-3-9(6-14)5-12-11(15)10-7-16-8-13-10/h7-9H,2-6H2,1H3,(H,12,15)
InChIKeyGXDFVZSCWZCTAR-UHFFFAOYSA-N
XLogP1.21
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methylurea
CID 55142865
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 63048022
N-[[(3R)-1-(3-fluoro-4-pyridinyl)piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 164636058
3,5-dimethoxy-N-[[(3R)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]benzamide
CID 42216109
N-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 131948304
N-[[1-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 137214476
N-[(1-pent-2-ynylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 131950069
N-[(3-chlorocyclopentyl)methyl]-1,3-thiazole-4-carboxamide
CID 106127398
4-[(1,3-thiazole-4-carbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79526408
[3-(methylaminomethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63263187
N-[[2-(bromomethyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide
CID 114317015
5-(1,5-dimethylpyrazol-4-yl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 95219384

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazole-4-carboxamide (CID 63049614) is N-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazole-4-carboxamide is CN1CCCC(CNC(=O)c2cscn2)C1.
What is the InChIKey of N-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is GXDFVZSCWZCTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-14-4-2-3-9(6-14)5-12-11(15)10-7-16-8-13-10/h7-9H,2-6H2,1H3,(H,12,15).
What are the key properties of N-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazole-4-carboxamide?
N-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63049614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).