1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidine-3-carboxamide

C19H24N4O3S — CID 84563681

IUPAC1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidine-3-carboxamide
SMILESCc1nc(NC(=O)CN2CCCC(C(=O)Nc3ccccc3O)C2)sc1C
InChIInChI=1S/C19H24N4O3S/c1-12-13(2)27-19(20-12)22-17(25)11-23-9-5-6-14(10-23)18(26)21-15-7-3-4-8-16(15)24/h3-4,7-8,14,24H,5-6,9-11H2,1-2H3,(H,21,26)(H,20,22,25)
InChIKeyIRUNUMXISHTAJO-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.75
Rot. Bonds5

About 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidine-3-carboxamide

1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidine-3-carboxamide (PubChem CID 84563681) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidine-3-carboxamide
PubChem CID84563681
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidine-3-carboxamide
SMILESCc1nc(NC(=O)CN2CCCC(C(=O)Nc3ccccc3O)C2)sc1C
InChIInChI=1S/C19H24N4O3S/c1-12-13(2)27-19(20-12)22-17(25)11-23-9-5-6-14(10-23)18(26)21-15-7-3-4-8-16(15)24/h3-4,7-8,14,24H,5-6,9-11H2,1-2H3,(H,21,26)(H,20,22,25)
InChIKeyIRUNUMXISHTAJO-UHFFFAOYSA-N
XLogP2.75
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-methylphenyl)piperidine-3-carboxamide
CID 84563668
N-(2-chlorophenyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 84563615
N-(2,3-dimethylphenyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 84563614
1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(5-ethylsulfonyl-2-hydroxyphenyl)piperidine-3-carboxamide
CID 84563692
N-(2-bromo-4-methylphenyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 84564176
1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pyridin-3-ylpiperidine-3-carboxamide
CID 84564183
N-(3-chloro-4-methylphenyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 84563684
N-(5-chloro-2-pyridinyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 84564177
1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 84567078
N-(4-chloro-2-nitrophenyl)-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
CID 84564166
1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 84566465
1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide
CID 84563698

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidine-3-carboxamide (CID 84563681) is 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidine-3-carboxamide is Cc1nc(NC(=O)CN2CCCC(C(=O)Nc3ccccc3O)C2)sc1C.
What is the InChIKey of 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidine-3-carboxamide?
The InChIKey is IRUNUMXISHTAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-12-13(2)27-19(20-12)22-17(25)11-23-9-5-6-14(10-23)18(26)21-15-7-3-4-8-16(15)24/h3-4,7-8,14,24H,5-6,9-11H2,1-2H3,(H,21,26)(H,20,22,25).
What are the key properties of 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidine-3-carboxamide?
1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidine-3-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 2.75, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 84563681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).