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

C19H18N2O2S2 — CID 71803828

IUPACN-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCSc1ccc(C(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)
InChIKeyZXNIHICBHLZXBN-UHFFFAOYSA-N
MW370.50 g/mol
LogP4.00
Rot. Bonds6

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

N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 71803828) has the molecular formula C19H18N2O2S2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID71803828
Molecular FormulaC19H18N2O2S2
Molecular Weight370.50 g/mol
Exact Mass370.08
IUPAC NameN-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCSc1ccc(C(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)
InChIKeyZXNIHICBHLZXBN-UHFFFAOYSA-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

2-phenyl-N-[(2R)-2-phenylpropyl]-1,3-thiazole-4-carboxamide
CID 9457088
N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 17398194
N-[2-(diethylamino)-2-phenylethyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 18271681
N-[(2R)-2-hydroxy-2-(1-methylindol-3-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 99982931
N-benzyl-N'-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]oxamide
CID 71803886
1-benzyl-3-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]urea
CID 97417039
N-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 9191739
4-bromo-N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]thiophene-2-carboxamide
CID 97416919
2,2-dimethyl-3-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 119249287
N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]thiophene-3-carboxamide
CID 97416773
(2R)-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]-3-sulfanylpropanoic acid
CID 71417855
2-phenyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 18105647

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide (CID 71803828) is N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide is CSc1ccc(C(O)CNC(=O)c2csc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is ZXNIHICBHLZXBN-UHFFFAOYSA-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).
What are the key properties of N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide?
N-[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-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71803828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).