3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(oxolan-3-ylmethyl)propanamide

C12H18N2O3S — CID 51114487

IUPAC3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(oxolan-3-ylmethyl)propanamide
SMILESCc1csc(=O)n1CCC(=O)NCC1CCOC1
InChIInChI=1S/C12H18N2O3S/c1-9-8-18-12(16)14(9)4-2-11(15)13-6-10-3-5-17-7-10/h8,10H,2-7H2,1H3,(H,13,15)
InChIKeyNBWZJUGCYVMXTA-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.76
Rot. Bonds5

About 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(oxolan-3-ylmethyl)propanamide

3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(oxolan-3-ylmethyl)propanamide (PubChem CID 51114487) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(oxolan-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(oxolan-3-ylmethyl)propanamide
PubChem CID51114487
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(oxolan-3-ylmethyl)propanamide
SMILESCc1csc(=O)n1CCC(=O)NCC1CCOC1
InChIInChI=1S/C12H18N2O3S/c1-9-8-18-12(16)14(9)4-2-11(15)13-6-10-3-5-17-7-10/h8,10H,2-7H2,1H3,(H,13,15)
InChIKeyNBWZJUGCYVMXTA-UHFFFAOYSA-N
XLogP0.76
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(oxolan-3-ylmethyl)propanamide?
The IUPAC name of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(oxolan-3-ylmethyl)propanamide (CID 51114487) is 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(oxolan-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(oxolan-3-ylmethyl)propanamide?
The canonical SMILES for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(oxolan-3-ylmethyl)propanamide is Cc1csc(=O)n1CCC(=O)NCC1CCOC1.
What is the InChIKey of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(oxolan-3-ylmethyl)propanamide?
The InChIKey is NBWZJUGCYVMXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9-8-18-12(16)14(9)4-2-11(15)13-6-10-3-5-17-7-10/h8,10H,2-7H2,1H3,(H,13,15).
What are the key properties of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(oxolan-3-ylmethyl)propanamide?
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(oxolan-3-ylmethyl)propanamide has a molecular weight of 270.35 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(oxolan-3-ylmethyl)propanamide is sourced from PubChem (CID 51114487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).