N-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide

C17H19ClN2O2S — CID 100660010

IUPACN-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(CCC(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H19ClN2O2S/c1-11-10-23-16(19-11)7-6-15(21)20-14-8-9-22-17(14)12-2-4-13(18)5-3-12/h2-5,10,14,17H,6-9H2,1H3,(H,20,21)/t14-,17-/m1/s1
InChIKeyWFTOSKBWYGFTQI-RHSMWYFYSA-N
MW350.87 g/mol
LogP3.68
Rot. Bonds5

About N-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide

N-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 100660010) has the molecular formula C17H19ClN2O2S and a molecular weight of 350.87 g/mol. Its IUPAC name is N-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID100660010
Molecular FormulaC17H19ClN2O2S
Molecular Weight350.87 g/mol
Exact Mass350.09
IUPAC NameN-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(CCC(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H19ClN2O2S/c1-11-10-23-16(19-11)7-6-15(21)20-14-8-9-22-17(14)12-2-4-13(18)5-3-12/h2-5,10,14,17H,6-9H2,1H3,(H,20,21)/t14-,17-/m1/s1
InChIKeyWFTOSKBWYGFTQI-RHSMWYFYSA-N
XLogP3.68
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide (CID 100660010) is N-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide is Cc1csc(CCC(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)n1.
What is the InChIKey of N-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is WFTOSKBWYGFTQI-RHSMWYFYSA-N. The full InChI is InChI=1S/C17H19ClN2O2S/c1-11-10-23-16(19-11)7-6-15(21)20-14-8-9-22-17(14)12-2-4-13(18)5-3-12/h2-5,10,14,17H,6-9H2,1H3,(H,20,21)/t14-,17-/m1/s1.
What are the key properties of N-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide?
N-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 350.87 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 100660010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).