2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(propylcarbamoyl)acetamide

C15H24N6O2S — CID 18134148

IUPAC2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CSc1nnc(N2CCCC2)n1C1CC1
InChIInChI=1S/C15H24N6O2S/c1-2-7-16-13(23)17-12(22)10-24-15-19-18-14(20-8-3-4-9-20)21(15)11-5-6-11/h11H,2-10H2,1H3,(H2,16,17,22,23)
InChIKeyGQPVFINWPAKXTM-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.54
Rot. Bonds7

About 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(propylcarbamoyl)acetamide

2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(propylcarbamoyl)acetamide (PubChem CID 18134148) has the molecular formula C15H24N6O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(propylcarbamoyl)acetamide
PubChem CID18134148
Molecular FormulaC15H24N6O2S
Molecular Weight352.46 g/mol
Exact Mass352.17
IUPAC Name2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CSc1nnc(N2CCCC2)n1C1CC1
InChIInChI=1S/C15H24N6O2S/c1-2-7-16-13(23)17-12(22)10-24-15-19-18-14(20-8-3-4-9-20)21(15)11-5-6-11/h11H,2-10H2,1H3,(H2,16,17,22,23)
InChIKeyGQPVFINWPAKXTM-UHFFFAOYSA-N
XLogP1.54
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(propylcarbamoyl)acetamide (CID 18134148) is 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CSc1nnc(N2CCCC2)n1C1CC1.
What is the InChIKey of 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(propylcarbamoyl)acetamide?
The InChIKey is GQPVFINWPAKXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O2S/c1-2-7-16-13(23)17-12(22)10-24-15-19-18-14(20-8-3-4-9-20)21(15)11-5-6-11/h11H,2-10H2,1H3,(H2,16,17,22,23).
What are the key properties of 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(propylcarbamoyl)acetamide?
2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(propylcarbamoyl)acetamide has a molecular weight of 352.46 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 18134148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).