3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-N-methylpropanamide

C10H15N3O2S — CID 79363435

IUPAC3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-N-methylpropanamide
SMILESCNC(=O)CCNc1snc(C)c1C(C)=O
InChIInChI=1S/C10H15N3O2S/c1-6-9(7(2)14)10(16-13-6)12-5-4-8(15)11-3/h12H,4-5H2,1-3H3,(H,11,15)
InChIKeyYDOMTHOIHJFULU-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.20
Rot. Bonds5

About 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-N-methylpropanamide

3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-N-methylpropanamide (PubChem CID 79363435) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-N-methylpropanamide
PubChem CID79363435
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-N-methylpropanamide
SMILESCNC(=O)CCNc1snc(C)c1C(C)=O
InChIInChI=1S/C10H15N3O2S/c1-6-9(7(2)14)10(16-13-6)12-5-4-8(15)11-3/h12H,4-5H2,1-3H3,(H,11,15)
InChIKeyYDOMTHOIHJFULU-UHFFFAOYSA-N
XLogP1.20
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-N-methylpropanamide?
The IUPAC name of 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-N-methylpropanamide (CID 79363435) is 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-N-methylpropanamide.
What is the SMILES notation for 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-N-methylpropanamide?
The canonical SMILES for 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-N-methylpropanamide is CNC(=O)CCNc1snc(C)c1C(C)=O.
What is the InChIKey of 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-N-methylpropanamide?
The InChIKey is YDOMTHOIHJFULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-6-9(7(2)14)10(16-13-6)12-5-4-8(15)11-3/h12H,4-5H2,1-3H3,(H,11,15).
What are the key properties of 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-N-methylpropanamide?
3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-N-methylpropanamide has a molecular weight of 241.32 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-N-methylpropanamide is sourced from PubChem (CID 79363435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).