N-cyclopropyl-2-(2-ethylanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide

C21H19N5O2S — CID 20917984

IUPACN-cyclopropyl-2-(2-ethylanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
SMILESCCc1ccccc1Nc1nn2c(=O)c3ccc(C(=O)NC4CC4)cc3nc2s1
InChIInChI=1S/C21H19N5O2S/c1-2-12-5-3-4-6-16(12)23-20-25-26-19(28)15-10-7-13(18(27)22-14-8-9-14)11-17(15)24-21(26)29-20/h3-7,10-11,14H,2,8-9H2,1H3,(H,22,27)(H,23,25)
InChIKeyQZNNTWAMFUAJRM-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.50
Rot. Bonds5

About N-cyclopropyl-2-(2-ethylanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide

N-cyclopropyl-2-(2-ethylanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide (PubChem CID 20917984) has the molecular formula C21H19N5O2S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-cyclopropyl-2-(2-ethylanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2-ethylanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
PubChem CID20917984
Molecular FormulaC21H19N5O2S
Molecular Weight405.48 g/mol
Exact Mass405.13
IUPAC NameN-cyclopropyl-2-(2-ethylanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
SMILESCCc1ccccc1Nc1nn2c(=O)c3ccc(C(=O)NC4CC4)cc3nc2s1
InChIInChI=1S/C21H19N5O2S/c1-2-12-5-3-4-6-16(12)23-20-25-26-19(28)15-10-7-13(18(27)22-14-8-9-14)11-17(15)24-21(26)29-20/h3-7,10-11,14H,2,8-9H2,1H3,(H,22,27)(H,23,25)
InChIKeyQZNNTWAMFUAJRM-UHFFFAOYSA-N
XLogP3.50
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-ethylanilino)-5-oxo-N-(pyridin-2-ylmethyl)-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
CID 20917974
2-(2-ethylanilino)-N-[(4-methoxyphenyl)methyl]-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
CID 20917978
N-(4-methylcyclohexyl)-3-[(5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]benzamide
CID 46507398
2-(2-ethylanilino)-7-methyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 30844888
N-(2-acetamidoethyl)-2-anilino-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
CID 18592760
N-benzyl-N-methyl-2-(2-methylanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
CID 20917966
N-(4-ethoxyphenyl)-2-(2-methoxyanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
CID 16831966
3-benzyl-N-cyclopentyl-2-(diethylamino)-4-oxoquinazoline-7-carboxamide
CID 53052510
N-cyclohexyl-2-(diethylamino)-4-oxo-3-phenylquinazoline-7-carboxamide
CID 53052465
2-(benzylamino)-N-(2-methoxyethyl)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
CID 22424252
2-anilino-8-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 22589784
2-(2,5-dimethylanilino)-8-fluoro-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 53209799

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2-ethylanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide?
The IUPAC name of N-cyclopropyl-2-(2-ethylanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide (CID 20917984) is N-cyclopropyl-2-(2-ethylanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-(2-ethylanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide?
The canonical SMILES for N-cyclopropyl-2-(2-ethylanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide is CCc1ccccc1Nc1nn2c(=O)c3ccc(C(=O)NC4CC4)cc3nc2s1.
What is the InChIKey of N-cyclopropyl-2-(2-ethylanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide?
The InChIKey is QZNNTWAMFUAJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2S/c1-2-12-5-3-4-6-16(12)23-20-25-26-19(28)15-10-7-13(18(27)22-14-8-9-14)11-17(15)24-21(26)29-20/h3-7,10-11,14H,2,8-9H2,1H3,(H,22,27)(H,23,25).
What are the key properties of N-cyclopropyl-2-(2-ethylanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide?
N-cyclopropyl-2-(2-ethylanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2-ethylanilino)-5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide is sourced from PubChem (CID 20917984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).