N-(cyclopenten-1-yl)-N-ethyl-2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide

C19H21N5O2S — CID 27060347

IUPACN-(cyclopenten-1-yl)-N-ethyl-2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
SMILESCCN(C(=O)CSc1nnc2n(C)c(=O)c3ccccc3n12)C1=CCCC1
InChIInChI=1S/C19H21N5O2S/c1-3-23(13-8-4-5-9-13)16(25)12-27-19-21-20-18-22(2)17(26)14-10-6-7-11-15(14)24(18)19/h6-8,10-11H,3-5,9,12H2,1-2H3
InChIKeyOOIILNWPPQLWIW-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.59
Rot. Bonds5

About N-(cyclopenten-1-yl)-N-ethyl-2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide

N-(cyclopenten-1-yl)-N-ethyl-2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide (PubChem CID 27060347) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is N-(cyclopenten-1-yl)-N-ethyl-2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(cyclopenten-1-yl)-N-ethyl-2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
PubChem CID27060347
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC NameN-(cyclopenten-1-yl)-N-ethyl-2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
SMILESCCN(C(=O)CSc1nnc2n(C)c(=O)c3ccccc3n12)C1=CCCC1
InChIInChI=1S/C19H21N5O2S/c1-3-23(13-8-4-5-9-13)16(25)12-27-19-21-20-18-22(2)17(26)14-10-6-7-11-15(14)24(18)19/h6-8,10-11H,3-5,9,12H2,1-2H3
InChIKeyOOIILNWPPQLWIW-UHFFFAOYSA-N
XLogP2.59
TPSA72.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(cyclohexen-1-yl)-2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-ethylacetamide
CID 46672760
2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 18207319
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
CID 24519211
2-[(4-butyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-cyclohexyl-N-ethylacetamide
CID 24576394
1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]sulfanyl-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 27058959
1-(5-hydroxypentylsulfanyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 60613770
N-(2,3-dimethylcyclohexyl)-2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
CID 51258646
2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 46639196
1-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl]sulfanyl-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 27059293
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
CID 24522034
1-(2-oxopropylsulfanyl)-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 2493344
N-(2-cyanoethyl)-2-[[4-(3-methylbutyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]-N-phenylacetamide
CID 16517505

Frequently Asked Questions

What is the IUPAC name of N-(cyclopenten-1-yl)-N-ethyl-2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide?
The IUPAC name of N-(cyclopenten-1-yl)-N-ethyl-2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide (CID 27060347) is N-(cyclopenten-1-yl)-N-ethyl-2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(cyclopenten-1-yl)-N-ethyl-2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide?
The canonical SMILES for N-(cyclopenten-1-yl)-N-ethyl-2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide is CCN(C(=O)CSc1nnc2n(C)c(=O)c3ccccc3n12)C1=CCCC1.
What is the InChIKey of N-(cyclopenten-1-yl)-N-ethyl-2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide?
The InChIKey is OOIILNWPPQLWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-3-23(13-8-4-5-9-13)16(25)12-27-19-21-20-18-22(2)17(26)14-10-6-7-11-15(14)24(18)19/h6-8,10-11H,3-5,9,12H2,1-2H3.
What are the key properties of N-(cyclopenten-1-yl)-N-ethyl-2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide?
N-(cyclopenten-1-yl)-N-ethyl-2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide has a molecular weight of 383.48 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopenten-1-yl)-N-ethyl-2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide is sourced from PubChem (CID 27060347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).