N-(3-methylphenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide

C19H17N5OS — CID 17172680

IUPACN-(3-methylphenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide
SMILESCc1cccc(NC(=O)CSc2nc3ccccc3c3nc(C)nn23)c1
InChIInChI=1S/C19H17N5OS/c1-12-6-5-7-14(10-12)21-17(25)11-26-19-22-16-9-4-3-8-15(16)18-20-13(2)23-24(18)19/h3-10H,11H2,1-2H3,(H,21,25)
InChIKeyHTHXJVUOAWTHNO-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.63
Rot. Bonds4

About N-(3-methylphenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide

N-(3-methylphenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide (PubChem CID 17172680) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide
PubChem CID17172680
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC NameN-(3-methylphenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide
SMILESCc1cccc(NC(=O)CSc2nc3ccccc3c3nc(C)nn23)c1
InChIInChI=1S/C19H17N5OS/c1-12-6-5-7-14(10-12)21-17(25)11-26-19-22-16-9-4-3-8-15(16)18-20-13(2)23-24(18)19/h3-10H,11H2,1-2H3,(H,21,25)
InChIKeyHTHXJVUOAWTHNO-UHFFFAOYSA-N
XLogP3.63
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-methylphenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide (CID 17172680) is N-(3-methylphenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide is Cc1cccc(NC(=O)CSc2nc3ccccc3c3nc(C)nn23)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide?
The InChIKey is HTHXJVUOAWTHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-12-6-5-7-14(10-12)21-17(25)11-26-19-22-16-9-4-3-8-15(16)18-20-13(2)23-24(18)19/h3-10H,11H2,1-2H3,(H,21,25).
What are the key properties of N-(3-methylphenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide?
N-(3-methylphenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide has a molecular weight of 363.45 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide is sourced from PubChem (CID 17172680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).