2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxypropyl)-N-methylacetamide

C11H18N4O2S — CID 62334381

IUPAC2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxypropyl)-N-methylacetamide
SMILESCC(O)CN(C)C(=O)CSc1nncn1C1CC1
InChIInChI=1S/C11H18N4O2S/c1-8(16)5-14(2)10(17)6-18-11-13-12-7-15(11)9-3-4-9/h7-9,16H,3-6H2,1-2H3
InChIKeyJOALCZBRSBSFIT-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.54
Rot. Bonds6

About 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxypropyl)-N-methylacetamide

2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxypropyl)-N-methylacetamide (PubChem CID 62334381) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxypropyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxypropyl)-N-methylacetamide
PubChem CID62334381
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxypropyl)-N-methylacetamide
SMILESCC(O)CN(C)C(=O)CSc1nncn1C1CC1
InChIInChI=1S/C11H18N4O2S/c1-8(16)5-14(2)10(17)6-18-11-13-12-7-15(11)9-3-4-9/h7-9,16H,3-6H2,1-2H3
InChIKeyJOALCZBRSBSFIT-UHFFFAOYSA-N
XLogP0.54
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxypropyl)-N-methylacetamide?
The IUPAC name of 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxypropyl)-N-methylacetamide (CID 62334381) is 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxypropyl)-N-methylacetamide.
What is the SMILES notation for 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxypropyl)-N-methylacetamide?
The canonical SMILES for 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxypropyl)-N-methylacetamide is CC(O)CN(C)C(=O)CSc1nncn1C1CC1.
What is the InChIKey of 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxypropyl)-N-methylacetamide?
The InChIKey is JOALCZBRSBSFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-8(16)5-14(2)10(17)6-18-11-13-12-7-15(11)9-3-4-9/h7-9,16H,3-6H2,1-2H3.
What are the key properties of 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxypropyl)-N-methylacetamide?
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxypropyl)-N-methylacetamide has a molecular weight of 270.36 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxypropyl)-N-methylacetamide is sourced from PubChem (CID 62334381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).