N-(5-methyl-1,3-thiazol-2-yl)-3-(oxolan-2-yl)propanamide

C11H16N2O2S — CID 42956781

IUPACN-(5-methyl-1,3-thiazol-2-yl)-3-(oxolan-2-yl)propanamide
SMILESCc1cnc(NC(=O)CCC2CCCO2)s1
InChIInChI=1S/C11H16N2O2S/c1-8-7-12-11(16-8)13-10(14)5-4-9-3-2-6-15-9/h7,9H,2-6H2,1H3,(H,12,13,14)
InChIKeyZVFUQRPGSOWHBE-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.35
Rot. Bonds4

About N-(5-methyl-1,3-thiazol-2-yl)-3-(oxolan-2-yl)propanamide

N-(5-methyl-1,3-thiazol-2-yl)-3-(oxolan-2-yl)propanamide (PubChem CID 42956781) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-3-(oxolan-2-yl)propanamide
PubChem CID42956781
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-3-(oxolan-2-yl)propanamide
SMILESCc1cnc(NC(=O)CCC2CCCO2)s1
InChIInChI=1S/C11H16N2O2S/c1-8-7-12-11(16-8)13-10(14)5-4-9-3-2-6-15-9/h7,9H,2-6H2,1H3,(H,12,13,14)
InChIKeyZVFUQRPGSOWHBE-UHFFFAOYSA-N
XLogP2.35
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-3-(oxolan-2-yl)propanamide (CID 42956781) is N-(5-methyl-1,3-thiazol-2-yl)-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-3-(oxolan-2-yl)propanamide is Cc1cnc(NC(=O)CCC2CCCO2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-3-(oxolan-2-yl)propanamide?
The InChIKey is ZVFUQRPGSOWHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-8-7-12-11(16-8)13-10(14)5-4-9-3-2-6-15-9/h7,9H,2-6H2,1H3,(H,12,13,14).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-3-(oxolan-2-yl)propanamide?
N-(5-methyl-1,3-thiazol-2-yl)-3-(oxolan-2-yl)propanamide has a molecular weight of 240.33 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 42956781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).