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

C11H20N4OS — CID 7352431

IUPACN-(2-methylpropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC(C)CNC(=O)CSc1nncn1C(C)C
InChIInChI=1S/C11H20N4OS/c1-8(2)5-12-10(16)6-17-11-14-13-7-15(11)9(3)4/h7-9H,5-6H2,1-4H3,(H,12,16)
InChIKeyZOSYSHLNMRYFJC-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.72
Rot. Bonds6

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

N-(2-methylpropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 7352431) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID7352431
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC NameN-(2-methylpropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC(C)CNC(=O)CSc1nncn1C(C)C
InChIInChI=1S/C11H20N4OS/c1-8(2)5-12-10(16)6-17-11-14-13-7-15(11)9(3)4/h7-9H,5-6H2,1-4H3,(H,12,16)
InChIKeyZOSYSHLNMRYFJC-UHFFFAOYSA-N
XLogP1.72
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-methylpropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 7352431) is N-(2-methylpropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CC(C)CNC(=O)CSc1nncn1C(C)C.
What is the InChIKey of N-(2-methylpropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is ZOSYSHLNMRYFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-8(2)5-12-10(16)6-17-11-14-13-7-15(11)9(3)4/h7-9H,5-6H2,1-4H3,(H,12,16).
What are the key properties of N-(2-methylpropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(2-methylpropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 256.37 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 7352431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).