3-(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)propanamide

C7H12N2OS — CID 166726031

IUPAC3-(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)propanamide
SMILESCC1=NC(CCC(N)=O)CS1
InChIInChI=1S/C7H12N2OS/c1-5-9-6(4-11-5)2-3-7(8)10/h6H,2-4H2,1H3,(H2,8,10)
InChIKeyHHDNVJMLQDWYEV-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.79
Rot. Bonds3

About 3-(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)propanamide

3-(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)propanamide (PubChem CID 166726031) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 3-(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound Name3-(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)propanamide
PubChem CID166726031
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name3-(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)propanamide
SMILESCC1=NC(CCC(N)=O)CS1
InChIInChI=1S/C7H12N2OS/c1-5-9-6(4-11-5)2-3-7(8)10/h6H,2-4H2,1H3,(H2,8,10)
InChIKeyHHDNVJMLQDWYEV-UHFFFAOYSA-N
XLogP0.79
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)propanamide?
The IUPAC name of 3-(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)propanamide (CID 166726031) is 3-(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for 3-(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)propanamide?
The canonical SMILES for 3-(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)propanamide is CC1=NC(CCC(N)=O)CS1.
What is the InChIKey of 3-(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)propanamide?
The InChIKey is HHDNVJMLQDWYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-5-9-6(4-11-5)2-3-7(8)10/h6H,2-4H2,1H3,(H2,8,10).
What are the key properties of 3-(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)propanamide?
3-(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)propanamide has a molecular weight of 172.25 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-4,5-dihydro-1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 166726031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).