2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-ylacetamide

C17H19N5OS — CID 2823428

IUPAC2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSc1nnc(-c2ccc3ncccc3c2)n1C
InChIInChI=1S/C17H19N5OS/c1-11(2)19-15(23)10-24-17-21-20-16(22(17)3)13-6-7-14-12(9-13)5-4-8-18-14/h4-9,11H,10H2,1-3H3,(H,19,23)
InChIKeyLNXLSCHCTZJHDN-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.65
Rot. Bonds5

About 2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-ylacetamide

2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-ylacetamide (PubChem CID 2823428) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-ylacetamide
PubChem CID2823428
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CSc1nnc(-c2ccc3ncccc3c2)n1C
InChIInChI=1S/C17H19N5OS/c1-11(2)19-15(23)10-24-17-21-20-16(22(17)3)13-6-7-14-12(9-13)5-4-8-18-14/h4-9,11H,10H2,1-3H3,(H,19,23)
InChIKeyLNXLSCHCTZJHDN-UHFFFAOYSA-N
XLogP2.65
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-ylacetamide (CID 2823428) is 2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-ylacetamide is CC(C)NC(=O)CSc1nnc(-c2ccc3ncccc3c2)n1C.
What is the InChIKey of 2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-ylacetamide?
The InChIKey is LNXLSCHCTZJHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-11(2)19-15(23)10-24-17-21-20-16(22(17)3)13-6-7-14-12(9-13)5-4-8-18-14/h4-9,11H,10H2,1-3H3,(H,19,23).
What are the key properties of 2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-ylacetamide?
2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-ylacetamide has a molecular weight of 341.44 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 2823428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).