1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(2-methylquinazolin-4-yl)sulfanylethanone

C19H17N3OS2 — CID 84601928

IUPAC1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(2-methylquinazolin-4-yl)sulfanylethanone
SMILESCc1nc(SCC(=O)N2CCSc3ccccc32)c2ccccc2n1
InChIInChI=1S/C19H17N3OS2/c1-13-20-15-7-3-2-6-14(15)19(21-13)25-12-18(23)22-10-11-24-17-9-5-4-8-16(17)22/h2-9H,10-12H2,1H3
InChIKeyCYBZXRQJRYVJDB-UHFFFAOYSA-N
MW367.50 g/mol
LogP4.17
Rot. Bonds3

About 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(2-methylquinazolin-4-yl)sulfanylethanone

1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(2-methylquinazolin-4-yl)sulfanylethanone (PubChem CID 84601928) has the molecular formula C19H17N3OS2 and a molecular weight of 367.50 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(2-methylquinazolin-4-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(2-methylquinazolin-4-yl)sulfanylethanone
PubChem CID84601928
Molecular FormulaC19H17N3OS2
Molecular Weight367.50 g/mol
Exact Mass367.08
IUPAC Name1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(2-methylquinazolin-4-yl)sulfanylethanone
SMILESCc1nc(SCC(=O)N2CCSc3ccccc32)c2ccccc2n1
InChIInChI=1S/C19H17N3OS2/c1-13-20-15-7-3-2-6-14(15)19(21-13)25-12-18(23)22-10-11-24-17-9-5-4-8-16(17)22/h2-9H,10-12H2,1H3
InChIKeyCYBZXRQJRYVJDB-UHFFFAOYSA-N
XLogP4.17
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-hydroxyethanone
CID 16769847
2-(2-bromophenyl)sulfanyl-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 36988349
N,N-dimethyl-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 84601738
2-[(3-amino-4-pyridinyl)sulfanyl]-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 43299599
1-(2,3-dihydroindol-1-yl)-2-(2-phenylquinazolin-4-yl)sulfanylethanone
CID 3181608
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 102630668
ethyl 1-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]piperidine-4-carboxylate
CID 7145614
2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 7145516
2-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135849308
6-(2,3-dihydro-1,4-benzothiazin-4-yl)-6-oxohexanoic acid
CID 43579785
2-[[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-methylamino]acetic acid
CID 43442529
N'-acetyl-2-(2-methylquinazolin-4-yl)sulfanylacetohydrazide
CID 7133852

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(2-methylquinazolin-4-yl)sulfanylethanone?
The IUPAC name of 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(2-methylquinazolin-4-yl)sulfanylethanone (CID 84601928) is 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(2-methylquinazolin-4-yl)sulfanylethanone.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(2-methylquinazolin-4-yl)sulfanylethanone?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(2-methylquinazolin-4-yl)sulfanylethanone is Cc1nc(SCC(=O)N2CCSc3ccccc32)c2ccccc2n1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(2-methylquinazolin-4-yl)sulfanylethanone?
The InChIKey is CYBZXRQJRYVJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS2/c1-13-20-15-7-3-2-6-14(15)19(21-13)25-12-18(23)22-10-11-24-17-9-5-4-8-16(17)22/h2-9H,10-12H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(2-methylquinazolin-4-yl)sulfanylethanone?
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(2-methylquinazolin-4-yl)sulfanylethanone has a molecular weight of 367.50 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(2-methylquinazolin-4-yl)sulfanylethanone is sourced from PubChem (CID 84601928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).