2-[hydroxy(phenyl)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide

C20H20N2O2S — CID 155557378

IUPAC2-[hydroxy(phenyl)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2csc(C(O)c3ccccc3)n2)cc1
InChIInChI=1S/C20H20N2O2S/c1-13(2)14-8-10-16(11-9-14)21-19(24)17-12-25-20(22-17)18(23)15-6-4-3-5-7-15/h3-13,18,23H,1-2H3,(H,21,24)
InChIKeyLKVXGHYKKXMUBQ-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.60
Rot. Bonds5

About 2-[hydroxy(phenyl)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide

2-[hydroxy(phenyl)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 155557378) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-[hydroxy(phenyl)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[hydroxy(phenyl)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID155557378
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name2-[hydroxy(phenyl)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2csc(C(O)c3ccccc3)n2)cc1
InChIInChI=1S/C20H20N2O2S/c1-13(2)14-8-10-16(11-9-14)21-19(24)17-12-25-20(22-17)18(23)15-6-4-3-5-7-15/h3-13,18,23H,1-2H3,(H,21,24)
InChIKeyLKVXGHYKKXMUBQ-UHFFFAOYSA-N
XLogP4.60
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]amino]phenyl]-1,3-thiazole-4-carboxylic acid
CID 44441228
2-methyl-N-(4-morpholin-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 67242079
N-[3-[2-[1-(3-fluorophenyl)-1-hydroxyethyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 46944224
N-[3-[2-[hydroxy(phenyl)methyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 49792795
N-tert-butyl-2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 155557997
2-[(4-tert-butylphenyl)-hydroxymethyl]-N-cyclopropyl-1,3-thiazole-4-carboxamide
CID 155562294
2-[(4-tert-butylphenyl)-hydroxymethyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 155565757
2-(1-hydroxy-2-methylpropyl)-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 168287697
N-[3-[2-[(3,4-difluorophenyl)-hydroxymethyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 49778116
N-[3-[2-(1-hydroxy-1-phenylethyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 49790521
N-[3-[2-[1-(3,4-difluorophenyl)-1-hydroxyethyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 49792782
N-[3-[2-[(4-fluorophenyl)-hydroxymethyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 49795342

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(phenyl)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[hydroxy(phenyl)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide (CID 155557378) is 2-[hydroxy(phenyl)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[hydroxy(phenyl)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[hydroxy(phenyl)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide is CC(C)c1ccc(NC(=O)c2csc(C(O)c3ccccc3)n2)cc1.
What is the InChIKey of 2-[hydroxy(phenyl)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is LKVXGHYKKXMUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-13(2)14-8-10-16(11-9-14)21-19(24)17-12-25-20(22-17)18(23)15-6-4-3-5-7-15/h3-13,18,23H,1-2H3,(H,21,24).
What are the key properties of 2-[hydroxy(phenyl)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide?
2-[hydroxy(phenyl)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(phenyl)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 155557378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).