3-(4-methyl-1,3-thiazol-5-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide

C12H18N4O2S — CID 70707672

IUPAC3-(4-methyl-1,3-thiazol-5-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide
SMILESCc1ncsc1CCC(=O)NCCN1CCNC1=O
InChIInChI=1S/C12H18N4O2S/c1-9-10(19-8-15-9)2-3-11(17)13-4-6-16-7-5-14-12(16)18/h8H,2-7H2,1H3,(H,13,17)(H,14,18)
InChIKeyLFVDKAFRSQDQDV-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.53
Rot. Bonds6

About 3-(4-methyl-1,3-thiazol-5-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide

3-(4-methyl-1,3-thiazol-5-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide (PubChem CID 70707672) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 3-(4-methyl-1,3-thiazol-5-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-methyl-1,3-thiazol-5-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide
PubChem CID70707672
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name3-(4-methyl-1,3-thiazol-5-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide
SMILESCc1ncsc1CCC(=O)NCCN1CCNC1=O
InChIInChI=1S/C12H18N4O2S/c1-9-10(19-8-15-9)2-3-11(17)13-4-6-16-7-5-14-12(16)18/h8H,2-7H2,1H3,(H,13,17)(H,14,18)
InChIKeyLFVDKAFRSQDQDV-UHFFFAOYSA-N
XLogP0.53
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,3-thiazol-5-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide?
The IUPAC name of 3-(4-methyl-1,3-thiazol-5-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide (CID 70707672) is 3-(4-methyl-1,3-thiazol-5-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-(4-methyl-1,3-thiazol-5-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide?
The canonical SMILES for 3-(4-methyl-1,3-thiazol-5-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide is Cc1ncsc1CCC(=O)NCCN1CCNC1=O.
What is the InChIKey of 3-(4-methyl-1,3-thiazol-5-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide?
The InChIKey is LFVDKAFRSQDQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-9-10(19-8-15-9)2-3-11(17)13-4-6-16-7-5-14-12(16)18/h8H,2-7H2,1H3,(H,13,17)(H,14,18).
What are the key properties of 3-(4-methyl-1,3-thiazol-5-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide?
3-(4-methyl-1,3-thiazol-5-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide has a molecular weight of 282.37 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,3-thiazol-5-yl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]propanamide is sourced from PubChem (CID 70707672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).