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

C19H17ClN2O2S — CID 99876137

IUPACN-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCO[C@@H](CNC(=O)c1csc(-c2ccccc2)n1)c1ccccc1Cl
InChIInChI=1S/C19H17ClN2O2S/c1-24-17(14-9-5-6-10-15(14)20)11-21-18(23)16-12-25-19(22-16)13-7-3-2-4-8-13/h2-10,12,17H,11H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyXDDDRYIBEHFGHL-KRWDZBQOSA-N
MW372.88 g/mol
LogP4.58
Rot. Bonds6

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

N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 99876137) has the molecular formula C19H17ClN2O2S and a molecular weight of 372.88 g/mol. Its IUPAC name is N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID99876137
Molecular FormulaC19H17ClN2O2S
Molecular Weight372.88 g/mol
Exact Mass372.07
IUPAC NameN-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCO[C@@H](CNC(=O)c1csc(-c2ccccc2)n1)c1ccccc1Cl
InChIInChI=1S/C19H17ClN2O2S/c1-24-17(14-9-5-6-10-15(14)20)11-21-18(23)16-12-25-19(22-16)13-7-3-2-4-8-13/h2-10,12,17H,11H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyXDDDRYIBEHFGHL-KRWDZBQOSA-N
XLogP4.58
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-2-phenyl-1,3-thiazole-4-carboxamide (CID 99876137) is N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-2-phenyl-1,3-thiazole-4-carboxamide is CO[C@@H](CNC(=O)c1csc(-c2ccccc2)n1)c1ccccc1Cl.
What is the InChIKey of N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is XDDDRYIBEHFGHL-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H17ClN2O2S/c1-24-17(14-9-5-6-10-15(14)20)11-21-18(23)16-12-25-19(22-16)13-7-3-2-4-8-13/h2-10,12,17H,11H2,1H3,(H,21,23)/t17-/m0/s1.
What are the key properties of N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-2-phenyl-1,3-thiazole-4-carboxamide?
N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 372.88 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 99876137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).