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

C11H19N5O2S — CID 4819429

IUPAC2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CSc1nncn1C(C)C
InChIInChI=1S/C11H19N5O2S/c1-4-5-12-10(18)14-9(17)6-19-11-15-13-7-16(11)8(2)3/h7-8H,4-6H2,1-3H3,(H2,12,14,17,18)
InChIKeyFCUBMYRTRFQWJX-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.19
Rot. Bonds6

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

2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(propylcarbamoyl)acetamide (PubChem CID 4819429) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(propylcarbamoyl)acetamide
PubChem CID4819429
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC Name2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CSc1nncn1C(C)C
InChIInChI=1S/C11H19N5O2S/c1-4-5-12-10(18)14-9(17)6-19-11-15-13-7-16(11)8(2)3/h7-8H,4-6H2,1-3H3,(H2,12,14,17,18)
InChIKeyFCUBMYRTRFQWJX-UHFFFAOYSA-N
XLogP1.19
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(propylcarbamoyl)acetamide (CID 4819429) is 2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CSc1nncn1C(C)C.
What is the InChIKey of 2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(propylcarbamoyl)acetamide?
The InChIKey is FCUBMYRTRFQWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-4-5-12-10(18)14-9(17)6-19-11-15-13-7-16(11)8(2)3/h7-8H,4-6H2,1-3H3,(H2,12,14,17,18).
What are the key properties of 2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(propylcarbamoyl)acetamide?
2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(propylcarbamoyl)acetamide has a molecular weight of 285.37 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 4819429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).