(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide

C17H17N3O3S2 — CID 95571839

IUPAC(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide
SMILESCc1cc(NC(=O)[C@H](C)[S@@](=O)Cc2csc(-c3ccccc3)n2)no1
InChIInChI=1S/C17H17N3O3S2/c1-11-8-15(20-23-11)19-16(21)12(2)25(22)10-14-9-24-17(18-14)13-6-4-3-5-7-13/h3-9,12H,10H2,1-2H3,(H,19,20,21)/t12-,25-/m0/s1
InChIKeyUYFUZKGNGSZDKS-VDBVYFBLSA-N
MW375.48 g/mol
LogP3.38
Rot. Bonds6

About (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide

(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide (PubChem CID 95571839) has the molecular formula C17H17N3O3S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide.

Molecular Properties

Compound Name(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide
PubChem CID95571839
Molecular FormulaC17H17N3O3S2
Molecular Weight375.48 g/mol
Exact Mass375.07
IUPAC Name(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide
SMILESCc1cc(NC(=O)[C@H](C)[S@@](=O)Cc2csc(-c3ccccc3)n2)no1
InChIInChI=1S/C17H17N3O3S2/c1-11-8-15(20-23-11)19-16(21)12(2)25(22)10-14-9-24-17(18-14)13-6-4-3-5-7-13/h3-9,12H,10H2,1-2H3,(H,19,20,21)/t12-,25-/m0/s1
InChIKeyUYFUZKGNGSZDKS-VDBVYFBLSA-N
XLogP3.38
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfinyl]propanamide
CID 95571915
N-phenyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide
CID 56808130
(2R)-2-[(S)-benzylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 94793005
N-(2-fluorophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide
CID 56808134
(2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 95331521
N-tert-butyl-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfinyl]propanamide
CID 56808147
(2R)-2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 52521050
2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 42951214
N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide
CID 39701534
2-[(2,5-dimethylphenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51076787
N-(2-methoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide
CID 56827638
(2S)-2-[(S)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]-N-(thiophen-2-ylmethyl)propanamide
CID 95062178

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide?
The IUPAC name of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide (CID 95571839) is (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide.
What is the SMILES notation for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide?
The canonical SMILES for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide is Cc1cc(NC(=O)[C@H](C)[S@@](=O)Cc2csc(-c3ccccc3)n2)no1.
What is the InChIKey of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide?
The InChIKey is UYFUZKGNGSZDKS-VDBVYFBLSA-N. The full InChI is InChI=1S/C17H17N3O3S2/c1-11-8-15(20-23-11)19-16(21)12(2)25(22)10-14-9-24-17(18-14)13-6-4-3-5-7-13/h3-9,12H,10H2,1-2H3,(H,19,20,21)/t12-,25-/m0/s1.
What are the key properties of (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide?
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide has a molecular weight of 375.48 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide is sourced from PubChem (CID 95571839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).