2-amino-N-(2-hydroxy-5-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide

C17H15N3O2S — CID 39194626

IUPAC2-amino-N-(2-hydroxy-5-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1ccc(O)c(NC(=O)c2sc(N)nc2-c2ccccc2)c1
InChIInChI=1S/C17H15N3O2S/c1-10-7-8-13(21)12(9-10)19-16(22)15-14(20-17(18)23-15)11-5-3-2-4-6-11/h2-9,21H,1H3,(H2,18,20)(H,19,22)
InChIKeyVPUIYFYBVONZKP-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.66
Rot. Bonds3

About 2-amino-N-(2-hydroxy-5-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide

2-amino-N-(2-hydroxy-5-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 39194626) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxy-5-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxy-5-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
PubChem CID39194626
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name2-amino-N-(2-hydroxy-5-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1ccc(O)c(NC(=O)c2sc(N)nc2-c2ccccc2)c1
InChIInChI=1S/C17H15N3O2S/c1-10-7-8-13(21)12(9-10)19-16(22)15-14(20-17(18)23-15)11-5-3-2-4-6-11/h2-9,21H,1H3,(H2,18,20)(H,19,22)
InChIKeyVPUIYFYBVONZKP-UHFFFAOYSA-N
XLogP3.66
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetylphenyl)-2-amino-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071356
3-[(2-amino-4-phenyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 39194623
2-amino-N-(4-ethylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071376
2-amino-4-phenyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 39071372
2-amino-N-[3,5-bis(trifluoromethyl)phenyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 39115623
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 24644751
3-amino-N-(2-hydroxy-5-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 41316370
2-amino-N-(3-chloro-4-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39115631
2-amino-N-(2-methoxyethyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071451
N-(2-hydroxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 46666287
2-amino-N-(4-methoxy-3-nitrophenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39115643
2-amino-N-cyclooctyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071425

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxy-5-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-(2-hydroxy-5-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide (CID 39194626) is 2-amino-N-(2-hydroxy-5-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-(2-hydroxy-5-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-(2-hydroxy-5-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide is Cc1ccc(O)c(NC(=O)c2sc(N)nc2-c2ccccc2)c1.
What is the InChIKey of 2-amino-N-(2-hydroxy-5-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is VPUIYFYBVONZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-10-7-8-13(21)12(9-10)19-16(22)15-14(20-17(18)23-15)11-5-3-2-4-6-11/h2-9,21H,1H3,(H2,18,20)(H,19,22).
What are the key properties of 2-amino-N-(2-hydroxy-5-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide?
2-amino-N-(2-hydroxy-5-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 325.39 g/mol, XLogP of 3.66, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxy-5-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 39194626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).