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

C13H17N3O2S2 — CID 97059760

IUPAC(2S)-2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCCc1nc(CS[C@@H](C)C(=O)Nc2cc(C)no2)cs1
InChIInChI=1S/C13H17N3O2S2/c1-4-12-14-10(7-20-12)6-19-9(3)13(17)15-11-5-8(2)16-18-11/h5,7,9H,4,6H2,1-3H3,(H,15,17)/t9-/m0/s1
InChIKeySUFRTZSUMFXKOD-VIFPVBQESA-N
MW311.43 g/mol
LogP3.26
Rot. Bonds6

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

(2S)-2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (PubChem CID 97059760) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (2S)-2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
PubChem CID97059760
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC Name(2S)-2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCCc1nc(CS[C@@H](C)C(=O)Nc2cc(C)no2)cs1
InChIInChI=1S/C13H17N3O2S2/c1-4-12-14-10(7-20-12)6-19-9(3)13(17)15-11-5-8(2)16-18-11/h5,7,9H,4,6H2,1-3H3,(H,15,17)/t9-/m0/s1
InChIKeySUFRTZSUMFXKOD-VIFPVBQESA-N
XLogP3.26
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 86915899
N-(2,6-dimethylphenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 87033751
2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 42951214
N-(2,5-difluorophenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 87033756
N-(4-acetylphenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 87033749
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propanamide
CID 95573536
2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-ol
CID 115659723
2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 47023536
(2R)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 30208813
methyl 2-[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl]sulfanylpropanoate
CID 78842879
2-hydroxy-N-(3-methyl-1,2-oxazol-5-yl)butanamide
CID 131132198
(2R)-2-chloro-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 40953774

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The IUPAC name of (2S)-2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (CID 97059760) is (2S)-2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for (2S)-2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for (2S)-2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is CCc1nc(CS[C@@H](C)C(=O)Nc2cc(C)no2)cs1.
What is the InChIKey of (2S)-2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The InChIKey is SUFRTZSUMFXKOD-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-4-12-14-10(7-20-12)6-19-9(3)13(17)15-11-5-8(2)16-18-11/h5,7,9H,4,6H2,1-3H3,(H,15,17)/t9-/m0/s1.
What are the key properties of (2S)-2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
(2S)-2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide has a molecular weight of 311.43 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 97059760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).