N-(4-hydroxy-2-methylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide

C19H17N3O3S — CID 84550687

IUPACN-(4-hydroxy-2-methylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
SMILESCc1cc(O)ccc1NC(=O)c1csc(NC(=O)Cc2ccccc2)n1
InChIInChI=1S/C19H17N3O3S/c1-12-9-14(23)7-8-15(12)20-18(25)16-11-26-19(21-16)22-17(24)10-13-5-3-2-4-6-13/h2-9,11,23H,10H2,1H3,(H,20,25)(H,21,22,24)
InChIKeyDDFPHICBJLQEQJ-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.59
Rot. Bonds5

About N-(4-hydroxy-2-methylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide

N-(4-hydroxy-2-methylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 84550687) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
PubChem CID84550687
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC NameN-(4-hydroxy-2-methylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
SMILESCc1cc(O)ccc1NC(=O)c1csc(NC(=O)Cc2ccccc2)n1
InChIInChI=1S/C19H17N3O3S/c1-12-9-14(23)7-8-15(12)20-18(25)16-11-26-19(21-16)22-17(24)10-13-5-3-2-4-6-13/h2-9,11,23H,10H2,1H3,(H,20,25)(H,21,22,24)
InChIKeyDDFPHICBJLQEQJ-UHFFFAOYSA-N
XLogP3.59
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84560120
methyl 2-[[2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate
CID 84550709
N-(2-bromophenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84550682
N-(4-acetylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84550613
N-(2-chloro-4-nitrophenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84550703
N-(3,5-dimethoxyphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84550844
N-(2-hydroxyethyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84555751
N-(4-bromo-2-methylphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948232
2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 16915429
2-[(2-phenylacetyl)amino]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 84555769
2-[(2-phenylacetyl)amino]-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 84550859
5-hydroxy-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzoic acid
CID 65199858

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-hydroxy-2-methylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide (CID 84550687) is N-(4-hydroxy-2-methylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2-methylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-hydroxy-2-methylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide is Cc1cc(O)ccc1NC(=O)c1csc(NC(=O)Cc2ccccc2)n1.
What is the InChIKey of N-(4-hydroxy-2-methylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is DDFPHICBJLQEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-12-9-14(23)7-8-15(12)20-18(25)16-11-26-19(21-16)22-17(24)10-13-5-3-2-4-6-13/h2-9,11,23H,10H2,1H3,(H,20,25)(H,21,22,24).
What are the key properties of N-(4-hydroxy-2-methylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide?
N-(4-hydroxy-2-methylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 3.59, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 84550687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).