1-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one

C13H17N5O2S — CID 9360738

IUPAC1-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one
SMILESO=C(CSc1nnc(C2CC2)n1C1CC1)N1CCNC1=O
InChIInChI=1S/C13H17N5O2S/c19-10(17-6-5-14-12(17)20)7-21-13-16-15-11(8-1-2-8)18(13)9-3-4-9/h8-9H,1-7H2,(H,14,20)
InChIKeyTXMBQPSBCLPTBU-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.13
Rot. Bonds5

About 1-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one

1-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one (PubChem CID 9360738) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is 1-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one
PubChem CID9360738
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name1-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one
SMILESO=C(CSc1nnc(C2CC2)n1C1CC1)N1CCNC1=O
InChIInChI=1S/C13H17N5O2S/c19-10(17-6-5-14-12(17)20)7-21-13-16-15-11(8-1-2-8)18(13)9-3-4-9/h8-9H,1-7H2,(H,14,20)
InChIKeyTXMBQPSBCLPTBU-UHFFFAOYSA-N
XLogP1.13
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one with MolForge

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Related Compounds

3-[3-cyclopropyl-5-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1,2,4-triazol-4-yl]propanamide
CID 31041641
(2S)-1-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-2-carboxamide
CID 8649385
3-cyclopropyl-2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanylquinazolin-4-one
CID 8981120
2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 27630135
methyl 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 17483257
N-[3-[3-cyclopropyl-5-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-1,2,4-triazol-4-yl]phenyl]acetamide
CID 33373122
N-carbamoyl-3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 47135790
2-[[5-cyclopropyl-4-(4-ethylcyclohexyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 61470083
6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]hexan-2-one
CID 43794022
2-[[5-cyclopropyl-4-(6-oxopiperidin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 63661957
3-cyclopentyl-2-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanylquinazolin-4-one
CID 7988444
2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 7664699

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one (CID 9360738) is 1-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one is O=C(CSc1nnc(C2CC2)n1C1CC1)N1CCNC1=O.
What is the InChIKey of 1-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one?
The InChIKey is TXMBQPSBCLPTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c19-10(17-6-5-14-12(17)20)7-21-13-16-15-11(8-1-2-8)18(13)9-3-4-9/h8-9H,1-7H2,(H,14,20).
What are the key properties of 1-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one?
1-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one has a molecular weight of 307.38 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one is sourced from PubChem (CID 9360738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).