(2S)-2-(3-methylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide

C18H17N3O2S — CID 2496684

IUPAC(2S)-2-(3-methylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCc1cccc(O[C@@H](C)C(=O)Nc2nc(-c3ccccn3)cs2)c1
InChIInChI=1S/C18H17N3O2S/c1-12-6-5-7-14(10-12)23-13(2)17(22)21-18-20-16(11-24-18)15-8-3-4-9-19-15/h3-11,13H,1-2H3,(H,20,21,22)/t13-/m0/s1
InChIKeyCBXKIMWYGZWBPN-ZDUSSCGKSA-N
MW339.42 g/mol
LogP3.92
Rot. Bonds5

About (2S)-2-(3-methylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide

(2S)-2-(3-methylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 2496684) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is (2S)-2-(3-methylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3-methylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
PubChem CID2496684
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name(2S)-2-(3-methylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCc1cccc(O[C@@H](C)C(=O)Nc2nc(-c3ccccn3)cs2)c1
InChIInChI=1S/C18H17N3O2S/c1-12-6-5-7-14(10-12)23-13(2)17(22)21-18-20-16(11-24-18)15-8-3-4-9-19-15/h3-11,13H,1-2H3,(H,20,21,22)/t13-/m0/s1
InChIKeyCBXKIMWYGZWBPN-ZDUSSCGKSA-N
XLogP3.92
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 18127589
(2S)-2-(3-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 2640444
(2S)-2-(3-methylphenoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 8780824
(2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide
CID 7986672
(2S)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide
CID 32622848
2-(3-methylphenoxy)-N-pyridin-2-ylpropanamide
CID 78802552
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide
CID 18139540
N-(4-methyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 4162363
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 4011297
(2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-methylphenoxy)propanamide
CID 8797574
(2S)-N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)propanamide
CID 7919906
[3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenyl] N-phenylcarbamate
CID 110492702

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-(3-methylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide (CID 2496684) is (2S)-2-(3-methylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-(3-methylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-(3-methylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide is Cc1cccc(O[C@@H](C)C(=O)Nc2nc(-c3ccccn3)cs2)c1.
What is the InChIKey of (2S)-2-(3-methylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is CBXKIMWYGZWBPN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12-6-5-7-14(10-12)23-13(2)17(22)21-18-20-16(11-24-18)15-8-3-4-9-19-15/h3-11,13H,1-2H3,(H,20,21,22)/t13-/m0/s1.
What are the key properties of (2S)-2-(3-methylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
(2S)-2-(3-methylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 339.42 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 2496684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).