N-(2,3-dihydro-1,3-thiazol-2-ylmethyl)propanamide

C7H12N2OS — CID 129060250

IUPACN-(2,3-dihydro-1,3-thiazol-2-ylmethyl)propanamide
SMILESCCC(=O)NCC1NC=CS1
InChIInChI=1S/C7H12N2OS/c1-2-6(10)9-5-7-8-3-4-11-7/h3-4,7-8H,2,5H2,1H3,(H,9,10)
InChIKeyFQUVWDRFVKUJAQ-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.65
Rot. Bonds3

About N-(2,3-dihydro-1,3-thiazol-2-ylmethyl)propanamide

N-(2,3-dihydro-1,3-thiazol-2-ylmethyl)propanamide (PubChem CID 129060250) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is N-(2,3-dihydro-1,3-thiazol-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,3-thiazol-2-ylmethyl)propanamide
PubChem CID129060250
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC NameN-(2,3-dihydro-1,3-thiazol-2-ylmethyl)propanamide
SMILESCCC(=O)NCC1NC=CS1
InChIInChI=1S/C7H12N2OS/c1-2-6(10)9-5-7-8-3-4-11-7/h3-4,7-8H,2,5H2,1H3,(H,9,10)
InChIKeyFQUVWDRFVKUJAQ-UHFFFAOYSA-N
XLogP0.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,3-thiazol-2-ylmethyl)propanamide?
The IUPAC name of N-(2,3-dihydro-1,3-thiazol-2-ylmethyl)propanamide (CID 129060250) is N-(2,3-dihydro-1,3-thiazol-2-ylmethyl)propanamide.
What is the SMILES notation for N-(2,3-dihydro-1,3-thiazol-2-ylmethyl)propanamide?
The canonical SMILES for N-(2,3-dihydro-1,3-thiazol-2-ylmethyl)propanamide is CCC(=O)NCC1NC=CS1.
What is the InChIKey of N-(2,3-dihydro-1,3-thiazol-2-ylmethyl)propanamide?
The InChIKey is FQUVWDRFVKUJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-2-6(10)9-5-7-8-3-4-11-7/h3-4,7-8H,2,5H2,1H3,(H,9,10).
What are the key properties of N-(2,3-dihydro-1,3-thiazol-2-ylmethyl)propanamide?
N-(2,3-dihydro-1,3-thiazol-2-ylmethyl)propanamide has a molecular weight of 172.25 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,3-thiazol-2-ylmethyl)propanamide is sourced from PubChem (CID 129060250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).