2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide

C9H15N3O2S — CID 106925190

IUPAC2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide
SMILESCCNC(CSc1nc(C)co1)C(N)=O
InChIInChI=1S/C9H15N3O2S/c1-3-11-7(8(10)13)5-15-9-12-6(2)4-14-9/h4,7,11H,3,5H2,1-2H3,(H2,10,13)
InChIKeySZLADZZNWUFZJM-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.54
Rot. Bonds6

About 2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide

2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide (PubChem CID 106925190) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide
PubChem CID106925190
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide
SMILESCCNC(CSc1nc(C)co1)C(N)=O
InChIInChI=1S/C9H15N3O2S/c1-3-11-7(8(10)13)5-15-9-12-6(2)4-14-9/h4,7,11H,3,5H2,1-2H3,(H2,10,13)
InChIKeySZLADZZNWUFZJM-UHFFFAOYSA-N
XLogP0.54
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(methylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoate
CID 106925140
(2S)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-2-ol
CID 106933459
1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]hexan-2-ol
CID 22367311
4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-ol
CID 106923608
3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-phenylpropanoic acid
CID 106920797
ethyl 2-(ethylamino)-3-(1,3-oxazol-2-ylsulfanyl)propanoate
CID 106924873
3,3-dimethyl-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine
CID 106927786
ethyl 3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanoate
CID 106920837
2-cyclopropyl-2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 106925112
2-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]butane-1-thiol
CID 106928123
2-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 115383549
2-methyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylpropan-1-amine
CID 106924260

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
The IUPAC name of 2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide (CID 106925190) is 2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for 2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for 2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide is CCNC(CSc1nc(C)co1)C(N)=O.
What is the InChIKey of 2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
The InChIKey is SZLADZZNWUFZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-3-11-7(8(10)13)5-15-9-12-6(2)4-14-9/h4,7,11H,3,5H2,1-2H3,(H2,10,13).
What are the key properties of 2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide has a molecular weight of 229.30 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 106925190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).