N-carbamoyl-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C11H15N5O2S — CID 9379024

IUPACN-carbamoyl-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESNC(=O)NC(=O)CSc1nnc(C2CC2)n1C1CC1
InChIInChI=1S/C11H15N5O2S/c12-10(18)13-8(17)5-19-11-15-14-9(6-1-2-6)16(11)7-3-4-7/h6-7H,1-5H2,(H3,12,13,17,18)
InChIKeyZYDNGGVXZVZVKB-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.78
Rot. Bonds5

About N-carbamoyl-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-carbamoyl-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 9379024) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-carbamoyl-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID9379024
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC NameN-carbamoyl-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESNC(=O)NC(=O)CSc1nnc(C2CC2)n1C1CC1
InChIInChI=1S/C11H15N5O2S/c12-10(18)13-8(17)5-19-11-15-14-9(6-1-2-6)16(11)7-3-4-7/h6-7H,1-5H2,(H3,12,13,17,18)
InChIKeyZYDNGGVXZVZVKB-UHFFFAOYSA-N
XLogP0.78
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-carbamoyl-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 9379024) is N-carbamoyl-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-carbamoyl-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-carbamoyl-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is NC(=O)NC(=O)CSc1nnc(C2CC2)n1C1CC1.
What is the InChIKey of N-carbamoyl-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is ZYDNGGVXZVZVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c12-10(18)13-8(17)5-19-11-15-14-9(6-1-2-6)16(11)7-3-4-7/h6-7H,1-5H2,(H3,12,13,17,18).
What are the key properties of N-carbamoyl-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-carbamoyl-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 281.34 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 9379024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).