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

C10H18N4OS — CID 7675567

IUPACN-propan-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC(C)NC(=O)CSc1nncn1C(C)C
InChIInChI=1S/C10H18N4OS/c1-7(2)12-9(15)5-16-10-13-11-6-14(10)8(3)4/h6-8H,5H2,1-4H3,(H,12,15)
InChIKeyWRHUKYWHVCRUTO-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.48
Rot. Bonds5

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

N-propan-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 7675567) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is N-propan-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID7675567
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC NameN-propan-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC(C)NC(=O)CSc1nncn1C(C)C
InChIInChI=1S/C10H18N4OS/c1-7(2)12-9(15)5-16-10-13-11-6-14(10)8(3)4/h6-8H,5H2,1-4H3,(H,12,15)
InChIKeyWRHUKYWHVCRUTO-UHFFFAOYSA-N
XLogP1.48
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-propan-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 7675567) is N-propan-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-propan-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CC(C)NC(=O)CSc1nncn1C(C)C.
What is the InChIKey of N-propan-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is WRHUKYWHVCRUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-7(2)12-9(15)5-16-10-13-11-6-14(10)8(3)4/h6-8H,5H2,1-4H3,(H,12,15).
What are the key properties of N-propan-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-propan-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 242.35 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 7675567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).