2-acetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide

C11H15N3O2S — CID 42953890

IUPAC2-acetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide
SMILESCC(=O)NC(C)C(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C11H15N3O2S/c1-6(12-7(2)15)10(16)14-11-13-9(5-17-11)8-3-4-8/h5-6,8H,3-4H2,1-2H3,(H,12,15)(H,13,14,16)
InChIKeyJZPGGNMRDSMCHD-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.48
Rot. Bonds4

About 2-acetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide

2-acetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide (PubChem CID 42953890) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 2-acetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide
PubChem CID42953890
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name2-acetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide
SMILESCC(=O)NC(C)C(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C11H15N3O2S/c1-6(12-7(2)15)10(16)14-11-13-9(5-17-11)8-3-4-8/h5-6,8H,3-4H2,1-2H3,(H,12,15)(H,13,14,16)
InChIKeyJZPGGNMRDSMCHD-UHFFFAOYSA-N
XLogP1.48
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-acetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide (CID 42953890) is 2-acetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-acetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-acetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide is CC(=O)NC(C)C(=O)Nc1nc(C2CC2)cs1.
What is the InChIKey of 2-acetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is JZPGGNMRDSMCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-6(12-7(2)15)10(16)14-11-13-9(5-17-11)8-3-4-8/h5-6,8H,3-4H2,1-2H3,(H,12,15)(H,13,14,16).
What are the key properties of 2-acetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide?
2-acetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 253.33 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 42953890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).