N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-3-carboxamide

C19H25N3O2S — CID 119325847

IUPACN-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2nc(C)c(C(C)NC(=O)C3CCCNC3)s2)cc1
InChIInChI=1S/C19H25N3O2S/c1-12(21-18(23)15-5-4-10-20-11-15)17-13(2)22-19(25-17)14-6-8-16(24-3)9-7-14/h6-9,12,15,20H,4-5,10-11H2,1-3H3,(H,21,23)
InChIKeyLTOSHXFNBIDXFZ-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.30
Rot. Bonds5

About N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-3-carboxamide

N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-3-carboxamide (PubChem CID 119325847) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-3-carboxamide
PubChem CID119325847
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2nc(C)c(C(C)NC(=O)C3CCCNC3)s2)cc1
InChIInChI=1S/C19H25N3O2S/c1-12(21-18(23)15-5-4-10-20-11-15)17-13(2)22-19(25-17)14-6-8-16(24-3)9-7-14/h6-9,12,15,20H,4-5,10-11H2,1-3H3,(H,21,23)
InChIKeyLTOSHXFNBIDXFZ-UHFFFAOYSA-N
XLogP3.30
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]piperidine-3-carboxamide;hydrochloride
CID 119321373
(2S,4S)-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120633300
N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]piperidine-4-carboxamide
CID 119321360
N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-4-carboxamide
CID 119319611
N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-3-piperidin-3-ylbutanamide
CID 119779768
3-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylbutanamide;hydrochloride
CID 120500956
N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119776825
N-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-3-carboxamide
CID 119273380
2-hydroxy-N-[(1R)-1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpropanamide
CID 99834592
N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-2-carboxamide;hydrochloride
CID 119319600
N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119272446
3-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]butanamide;hydrochloride
CID 119787457

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-3-carboxamide?
The IUPAC name of N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-3-carboxamide (CID 119325847) is N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-3-carboxamide?
The canonical SMILES for N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-3-carboxamide is COc1ccc(-c2nc(C)c(C(C)NC(=O)C3CCCNC3)s2)cc1.
What is the InChIKey of N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-3-carboxamide?
The InChIKey is LTOSHXFNBIDXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-12(21-18(23)15-5-4-10-20-11-15)17-13(2)22-19(25-17)14-6-8-16(24-3)9-7-14/h6-9,12,15,20H,4-5,10-11H2,1-3H3,(H,21,23).
What are the key properties of N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-3-carboxamide?
N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-3-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 119325847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).