N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methoxypiperidine-4-carboxamide

C15H25N3O2S — CID 119878896

IUPACN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCc2nc(C(C)(C)C)cs2)CCNCC1
InChIInChI=1S/C15H25N3O2S/c1-14(2,3)11-10-21-12(18-11)9-17-13(19)15(20-4)5-7-16-8-6-15/h10,16H,5-9H2,1-4H3,(H,17,19)
InChIKeyJJSXCHZNIIUBMO-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.83
Rot. Bonds4

About N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methoxypiperidine-4-carboxamide

N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119878896) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methoxypiperidine-4-carboxamide
PubChem CID119878896
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCc2nc(C(C)(C)C)cs2)CCNCC1
InChIInChI=1S/C15H25N3O2S/c1-14(2,3)11-10-21-12(18-11)9-17-13(19)15(20-4)5-7-16-8-6-15/h10,16H,5-9H2,1-4H3,(H,17,19)
InChIKeyJJSXCHZNIIUBMO-UHFFFAOYSA-N
XLogP1.83
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methoxypiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120941211
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 111104396
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide
CID 126792438
2-[[(4-methylpiperidine-4-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381291
4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
CID 119861868
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119878891
N-[(4-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119669752
N-[(5-bromothiophen-2-yl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119730034
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-(2-ethyl-2-hydroxybutyl)urea
CID 111104399
4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carboxamide
CID 113266923
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111505982
4-methoxy-N-(2-methylpropyl)piperidine-4-carboxamide
CID 119673792

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methoxypiperidine-4-carboxamide (CID 119878896) is N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methoxypiperidine-4-carboxamide is COC1(C(=O)NCc2nc(C(C)(C)C)cs2)CCNCC1.
What is the InChIKey of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is JJSXCHZNIIUBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-14(2,3)11-10-21-12(18-11)9-17-13(19)15(20-4)5-7-16-8-6-15/h10,16H,5-9H2,1-4H3,(H,17,19).
What are the key properties of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methoxypiperidine-4-carboxamide?
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 311.45 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119878896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).