N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide

C19H18N2O2S2 — CID 97416882

IUPACN-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCSc1ccc([C@@H](O)CNC(=O)c2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H18N2O2S2/c1-24-15-9-7-13(8-10-15)17(22)11-20-18(23)16-12-25-19(21-16)14-5-3-2-4-6-14/h2-10,12,17,22H,11H2,1H3,(H,20,23)/t17-/m0/s1
InChIKeyZXNIHICBHLZXBN-KRWDZBQOSA-N
MW370.50 g/mol
LogP4.00
Rot. Bonds6

About N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide

N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 97416882) has the molecular formula C19H18N2O2S2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID97416882
Molecular FormulaC19H18N2O2S2
Molecular Weight370.50 g/mol
Exact Mass370.08
IUPAC NameN-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCSc1ccc([C@@H](O)CNC(=O)c2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H18N2O2S2/c1-24-15-9-7-13(8-10-15)17(22)11-20-18(23)16-12-25-19(21-16)14-5-3-2-4-6-14/h2-10,12,17,22H,11H2,1H3,(H,20,23)/t17-/m0/s1
InChIKeyZXNIHICBHLZXBN-KRWDZBQOSA-N
XLogP4.00
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 155510442
N,N-diethyl-3-[2-[hydroxy(phenyl)methyl]-1,3-thiazol-4-yl]benzamide
CID 49786802
N-[3-[2-[hydroxy(phenyl)methyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 49792795
2-[hydroxy(phenyl)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 155557378
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-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 155569132
US10494376, Example 16
CID 132007898
1-(2-Hydroxy-2-phenylethyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 47239173
N-[[4-[3-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-phenylmethyl]acetamide
CID 49795686
N-(2-(2-fluorophenyl)-2-methoxypropyl)-2-phenylthiazole-4-carboxamide
CID 71810635

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide (CID 97416882) is N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide is CSc1ccc([C@@H](O)CNC(=O)c2csc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is ZXNIHICBHLZXBN-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H18N2O2S2/c1-24-15-9-7-13(8-10-15)17(22)11-20-18(23)16-12-25-19(21-16)14-5-3-2-4-6-14/h2-10,12,17,22H,11H2,1H3,(H,20,23)/t17-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide?
N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 97416882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).