2-chloro-[1,3]benzothiazolo[2,3-b]quinazolin-12-one

C14H7ClN2OS — CID 15134484

IUPAC2-chloro-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
SMILESO=c1c2cc(Cl)ccc2nc2sc3ccccc3n12
InChIInChI=1S/C14H7ClN2OS/c15-8-5-6-10-9(7-8)13(18)17-11-3-1-2-4-12(11)19-14(17)16-10/h1-7H
InChIKeyJPNHOCCRUQTMGT-UHFFFAOYSA-N
MW286.74 g/mol
LogP3.72
Rot. Bonds

About 2-chloro-[1,3]benzothiazolo[2,3-b]quinazolin-12-one

2-chloro-[1,3]benzothiazolo[2,3-b]quinazolin-12-one (PubChem CID 15134484) has the molecular formula C14H7ClN2OS and a molecular weight of 286.74 g/mol. Its IUPAC name is 2-chloro-[1,3]benzothiazolo[2,3-b]quinazolin-12-one.

Molecular Properties

Compound Name2-chloro-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
PubChem CID15134484
Molecular FormulaC14H7ClN2OS
Molecular Weight286.74 g/mol
Exact Mass286.00
IUPAC Name2-chloro-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
SMILESO=c1c2cc(Cl)ccc2nc2sc3ccccc3n12
InChIInChI=1S/C14H7ClN2OS/c15-8-5-6-10-9(7-8)13(18)17-11-3-1-2-4-12(11)19-14(17)16-10/h1-7H
InChIKeyJPNHOCCRUQTMGT-UHFFFAOYSA-N
XLogP3.72
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chlorobenzimidazolo[2,1-b][1,3]benzothiazin-12-one
CID 162723176
2-(2-methylphenyl)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
CID 163394893
2-(3-phenyl-N-(3-phenylphenyl)anilino)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
CID 163394880
2-(3,5-dimethoxyphenyl)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
CID 163394930
2-(3-phenyl-N-triphenylen-2-ylanilino)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
CID 163395008
4-(4-chlorophenyl)pyrimido[2,1-b][1,3]benzothiazol-2-one
CID 70494305
17-thia-2,7,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11,13,15-heptaen-9-one
CID 10060817
10,16-dithia-2,12-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),4,6,8,11,14,17,19,21,23-decaen-3-one
CID 156870697
3-phenyl-16-thia-3,14,24-triazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,17,19,21-decaen-23-one
CID 156870576
ethane;9-methylbenzimidazolo[2,1-b][1,3]benzothiazole
CID 144782380
2-amino-7-chloro-[1,3,5]triazino[2,1-b][1,3]benzothiazol-4-one
CID 86239917
1-carbazol-9-yl-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
CID 170777378

Frequently Asked Questions

What is the IUPAC name of 2-chloro-[1,3]benzothiazolo[2,3-b]quinazolin-12-one?
The IUPAC name of 2-chloro-[1,3]benzothiazolo[2,3-b]quinazolin-12-one (CID 15134484) is 2-chloro-[1,3]benzothiazolo[2,3-b]quinazolin-12-one.
What is the SMILES notation for 2-chloro-[1,3]benzothiazolo[2,3-b]quinazolin-12-one?
The canonical SMILES for 2-chloro-[1,3]benzothiazolo[2,3-b]quinazolin-12-one is O=c1c2cc(Cl)ccc2nc2sc3ccccc3n12.
What is the InChIKey of 2-chloro-[1,3]benzothiazolo[2,3-b]quinazolin-12-one?
The InChIKey is JPNHOCCRUQTMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClN2OS/c15-8-5-6-10-9(7-8)13(18)17-11-3-1-2-4-12(11)19-14(17)16-10/h1-7H.
What are the key properties of 2-chloro-[1,3]benzothiazolo[2,3-b]quinazolin-12-one?
2-chloro-[1,3]benzothiazolo[2,3-b]quinazolin-12-one has a molecular weight of 286.74 g/mol, XLogP of 3.72, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-[1,3]benzothiazolo[2,3-b]quinazolin-12-one is sourced from PubChem (CID 15134484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).