(2R,3R)-3-(4-chlorophenyl)-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-oxomorpholine-2-carboxamide

C16H16ClN3O3S — CID 95739673

IUPAC(2R,3R)-3-(4-chlorophenyl)-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-oxomorpholine-2-carboxamide
SMILESCc1cnc(NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)s1
InChIInChI=1S/C16H16ClN3O3S/c1-9-7-18-16(24-9)19-15(22)14-13(20(2)12(21)8-23-14)10-3-5-11(17)6-4-10/h3-7,13-14H,8H2,1-2H3,(H,18,19,22)/t13-,14-/m1/s1
InChIKeyPLMZYLSRFYHLPA-ZIAGYGMSSA-N
MW365.84 g/mol
LogP2.64
Rot. Bonds3

About (2R,3R)-3-(4-chlorophenyl)-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-oxomorpholine-2-carboxamide

(2R,3R)-3-(4-chlorophenyl)-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-oxomorpholine-2-carboxamide (PubChem CID 95739673) has the molecular formula C16H16ClN3O3S and a molecular weight of 365.84 g/mol. Its IUPAC name is (2R,3R)-3-(4-chlorophenyl)-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-oxomorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R,3R)-3-(4-chlorophenyl)-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-oxomorpholine-2-carboxamide
PubChem CID95739673
Molecular FormulaC16H16ClN3O3S
Molecular Weight365.84 g/mol
Exact Mass365.06
IUPAC Name(2R,3R)-3-(4-chlorophenyl)-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-oxomorpholine-2-carboxamide
SMILESCc1cnc(NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)s1
InChIInChI=1S/C16H16ClN3O3S/c1-9-7-18-16(24-9)19-15(22)14-13(20(2)12(21)8-23-14)10-3-5-11(17)6-4-10/h3-7,13-14H,8H2,1-2H3,(H,18,19,22)/t13-,14-/m1/s1
InChIKeyPLMZYLSRFYHLPA-ZIAGYGMSSA-N
XLogP2.64
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.84
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(4-chlorophenyl)-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-oxomorpholine-2-carboxamide?
The IUPAC name of (2R,3R)-3-(4-chlorophenyl)-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-oxomorpholine-2-carboxamide (CID 95739673) is (2R,3R)-3-(4-chlorophenyl)-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-oxomorpholine-2-carboxamide.
What is the SMILES notation for (2R,3R)-3-(4-chlorophenyl)-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-oxomorpholine-2-carboxamide?
The canonical SMILES for (2R,3R)-3-(4-chlorophenyl)-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-oxomorpholine-2-carboxamide is Cc1cnc(NC(=O)[C@@H]2OCC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)s1.
What is the InChIKey of (2R,3R)-3-(4-chlorophenyl)-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-oxomorpholine-2-carboxamide?
The InChIKey is PLMZYLSRFYHLPA-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H16ClN3O3S/c1-9-7-18-16(24-9)19-15(22)14-13(20(2)12(21)8-23-14)10-3-5-11(17)6-4-10/h3-7,13-14H,8H2,1-2H3,(H,18,19,22)/t13-,14-/m1/s1.
What are the key properties of (2R,3R)-3-(4-chlorophenyl)-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-oxomorpholine-2-carboxamide?
(2R,3R)-3-(4-chlorophenyl)-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-oxomorpholine-2-carboxamide has a molecular weight of 365.84 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(4-chlorophenyl)-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-5-oxomorpholine-2-carboxamide is sourced from PubChem (CID 95739673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).