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

C12H19N3O2S — CID 106925112

IUPAC2-cyclopropyl-2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide
SMILESCCNC(CSc1nc(C)co1)(C(N)=O)C1CC1
InChIInChI=1S/C12H19N3O2S/c1-3-14-12(10(13)16,9-4-5-9)7-18-11-15-8(2)6-17-11/h6,9,14H,3-5,7H2,1-2H3,(H2,13,16)
InChIKeyNLJCOLJZORJJTI-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.32
Rot. Bonds7

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

2-cyclopropyl-2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide (PubChem CID 106925112) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-cyclopropyl-2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name2-cyclopropyl-2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide
PubChem CID106925112
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name2-cyclopropyl-2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide
SMILESCCNC(CSc1nc(C)co1)(C(N)=O)C1CC1
InChIInChI=1S/C12H19N3O2S/c1-3-14-12(10(13)16,9-4-5-9)7-18-11-15-8(2)6-17-11/h6,9,14H,3-5,7H2,1-2H3,(H2,13,16)
InChIKeyNLJCOLJZORJJTI-UHFFFAOYSA-N
XLogP1.32
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
The IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide (CID 106925112) is 2-cyclopropyl-2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for 2-cyclopropyl-2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for 2-cyclopropyl-2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide is CCNC(CSc1nc(C)co1)(C(N)=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
The InChIKey is NLJCOLJZORJJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-3-14-12(10(13)16,9-4-5-9)7-18-11-15-8(2)6-17-11/h6,9,14H,3-5,7H2,1-2H3,(H2,13,16).
What are the key properties of 2-cyclopropyl-2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
2-cyclopropyl-2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide has a molecular weight of 269.37 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(ethylamino)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 106925112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).