(2R)-2-(4-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide

C13H13ClN2O2S — CID 2678069

IUPAC(2R)-2-(4-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)s1
InChIInChI=1S/C13H13ClN2O2S/c1-8-7-15-13(19-8)16-12(17)9(2)18-11-5-3-10(14)4-6-11/h3-7,9H,1-2H3,(H,15,16,17)/t9-/m1/s1
InChIKeyDMHSUXMZVWPJCP-SECBINFHSA-N
MW296.78 g/mol
LogP3.51
Rot. Bonds4

About (2R)-2-(4-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide

(2R)-2-(4-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 2678069) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID2678069
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC Name(2R)-2-(4-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)s1
InChIInChI=1S/C13H13ClN2O2S/c1-8-7-15-13(19-8)16-12(17)9(2)18-11-5-3-10(14)4-6-11/h3-7,9H,1-2H3,(H,15,16,17)/t9-/m1/s1
InChIKeyDMHSUXMZVWPJCP-SECBINFHSA-N
XLogP3.51
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 17190941
N-(5-methyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 4812532
N-(5-methyl-1,3-thiazol-2-yl)-2-(4-phenylphenoxy)propanamide
CID 46481508
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 45148025
2-(2-methoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 17190948
N-(5-methyl-1,3-thiazol-2-yl)-2-(2-propan-2-ylphenoxy)propanamide
CID 17190939
(2R)-2-(4-chlorophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide
CID 2667682
2-(4-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 4943921
N-(4-acetamidophenyl)-2-(4-chlorophenoxy)propanamide
CID 4943851
2-(4-fluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 17190951
(2R)-2-(4-chlorophenoxy)-N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 100584231
2-(4-chlorophenoxy)-N-pyridin-4-ylpropanamide
CID 51193889

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2R)-2-(4-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide (CID 2678069) is (2R)-2-(4-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2R)-2-(4-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide is Cc1cnc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)s1.
What is the InChIKey of (2R)-2-(4-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is DMHSUXMZVWPJCP-SECBINFHSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c1-8-7-15-13(19-8)16-12(17)9(2)18-11-5-3-10(14)4-6-11/h3-7,9H,1-2H3,(H,15,16,17)/t9-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
(2R)-2-(4-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 296.78 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 2678069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).