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

C10H15N5O2S — CID 7675548

IUPAC1-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one
SMILESCC(C)n1cnnc1SCC(=O)N1CCNC1=O
InChIInChI=1S/C10H15N5O2S/c1-7(2)15-6-12-13-10(15)18-5-8(16)14-4-3-11-9(14)17/h6-7H,3-5H2,1-2H3,(H,11,17)
InChIKeyJXXXURWJGYWODS-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.50
Rot. Bonds4

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

1-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one (PubChem CID 7675548) has the molecular formula C10H15N5O2S and a molecular weight of 269.33 g/mol. Its IUPAC name is 1-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one
PubChem CID7675548
Molecular FormulaC10H15N5O2S
Molecular Weight269.33 g/mol
Exact Mass269.09
IUPAC Name1-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one
SMILESCC(C)n1cnnc1SCC(=O)N1CCNC1=O
InChIInChI=1S/C10H15N5O2S/c1-7(2)15-6-12-13-10(15)18-5-8(16)14-4-3-11-9(14)17/h6-7H,3-5H2,1-2H3,(H,11,17)
InChIKeyJXXXURWJGYWODS-UHFFFAOYSA-N
XLogP0.50
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one (CID 7675548) is 1-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one is CC(C)n1cnnc1SCC(=O)N1CCNC1=O.
What is the InChIKey of 1-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one?
The InChIKey is JXXXURWJGYWODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S/c1-7(2)15-6-12-13-10(15)18-5-8(16)14-4-3-11-9(14)17/h6-7H,3-5H2,1-2H3,(H,11,17).
What are the key properties of 1-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one?
1-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one has a molecular weight of 269.33 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]imidazolidin-2-one is sourced from PubChem (CID 7675548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).