N-[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

C19H17ClN2O2S — CID 124735038

IUPACN-[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)N[C@@H](CO)c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN2O2S/c1-12-17(25-19(21-12)14-5-3-2-4-6-14)18(24)22-16(11-23)13-7-9-15(20)10-8-13/h2-10,16,23H,11H2,1H3,(H,22,24)/t16-/m0/s1
InChIKeyMWEGZNRQTNCQSB-INIZCTEOSA-N
MW372.88 g/mol
LogP4.24
Rot. Bonds5

About N-[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

N-[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 124735038) has the molecular formula C19H17ClN2O2S and a molecular weight of 372.88 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID124735038
Molecular FormulaC19H17ClN2O2S
Molecular Weight372.88 g/mol
Exact Mass372.07
IUPAC NameN-[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)N[C@@H](CO)c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN2O2S/c1-12-17(25-19(21-12)14-5-3-2-4-6-14)18(24)22-16(11-23)13-7-9-15(20)10-8-13/h2-10,16,23H,11H2,1H3,(H,22,24)/t16-/m0/s1
InChIKeyMWEGZNRQTNCQSB-INIZCTEOSA-N
XLogP4.24
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 56919999
N-[(1S)-1-(4-chlorophenyl)propyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 41490350
4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 9123977
(2R)-4-methyl-2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 119363922
4-methyl-2-phenyl-N-[(1S)-1-pyridin-4-ylethyl]-1,3-thiazole-5-carboxamide
CID 39966458
2-(4-chlorophenyl)-4-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 24515088
[3-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-3-oxo-1-phenylpropyl]urea
CID 24642983
3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 29134816
2-[[2-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-3-phenylpropanoic acid
CID 75269827
2-hydroxy-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanone
CID 14318557
2-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110004367
N'-(2-fluorobenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 7970391

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (CID 124735038) is N-[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)sc1C(=O)N[C@@H](CO)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is MWEGZNRQTNCQSB-INIZCTEOSA-N. The full InChI is InChI=1S/C19H17ClN2O2S/c1-12-17(25-19(21-12)14-5-3-2-4-6-14)18(24)22-16(11-23)13-7-9-15(20)10-8-13/h2-10,16,23H,11H2,1H3,(H,22,24)/t16-/m0/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
N-[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 372.88 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 124735038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).