N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-quinazolin-4-ylsulfanylacetamide

C19H16N4O2S2 — CID 9323395

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-quinazolin-4-ylsulfanylacetamide
SMILESCCOc1ccc2nc(NC(=O)CSc3ncnc4ccccc34)sc2c1
InChIInChI=1S/C19H16N4O2S2/c1-2-25-12-7-8-15-16(9-12)27-19(22-15)23-17(24)10-26-18-13-5-3-4-6-14(13)20-11-21-18/h3-9,11H,2,10H2,1H3,(H,22,23,24)
InChIKeySSSQJARKYUBIDE-UHFFFAOYSA-N
MW396.50 g/mol
LogP4.37
Rot. Bonds6

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-quinazolin-4-ylsulfanylacetamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-quinazolin-4-ylsulfanylacetamide (PubChem CID 9323395) has the molecular formula C19H16N4O2S2 and a molecular weight of 396.50 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-quinazolin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-quinazolin-4-ylsulfanylacetamide
PubChem CID9323395
Molecular FormulaC19H16N4O2S2
Molecular Weight396.50 g/mol
Exact Mass396.07
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-quinazolin-4-ylsulfanylacetamide
SMILESCCOc1ccc2nc(NC(=O)CSc3ncnc4ccccc34)sc2c1
InChIInChI=1S/C19H16N4O2S2/c1-2-25-12-7-8-15-16(9-12)27-19(22-15)23-17(24)10-26-18-13-5-3-4-6-14(13)20-11-21-18/h3-9,11H,2,10H2,1H3,(H,22,23,24)
InChIKeySSSQJARKYUBIDE-UHFFFAOYSA-N
XLogP4.37
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-quinazolin-4-ylsulfanylacetamide
CID 9325587
N-(2,5-diethoxyphenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 36528919
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 3994330
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 8883135
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19712680
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 1164426
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17455130
(3S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-phenylbutanamide
CID 7926146
2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 54409195
methyl 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
CID 108747758
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 8674496
3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide
CID 60835509

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-quinazolin-4-ylsulfanylacetamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-quinazolin-4-ylsulfanylacetamide (CID 9323395) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-quinazolin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-quinazolin-4-ylsulfanylacetamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-quinazolin-4-ylsulfanylacetamide is CCOc1ccc2nc(NC(=O)CSc3ncnc4ccccc34)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-quinazolin-4-ylsulfanylacetamide?
The InChIKey is SSSQJARKYUBIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S2/c1-2-25-12-7-8-15-16(9-12)27-19(22-15)23-17(24)10-26-18-13-5-3-4-6-14(13)20-11-21-18/h3-9,11H,2,10H2,1H3,(H,22,23,24).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-quinazolin-4-ylsulfanylacetamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-quinazolin-4-ylsulfanylacetamide has a molecular weight of 396.50 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-quinazolin-4-ylsulfanylacetamide is sourced from PubChem (CID 9323395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).