2,1-benzothiazole;quinazoline

C15H11N3S — CID 145320674

IUPAC2,1-benzothiazole;quinazoline
SMILESc1ccc2ncncc2c1.c1ccc2nscc2c1
InChIInChI=1S/C8H6N2.C7H5NS/c1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-7-6(3-1)5-9-8-7/h1-6H;1-5H
InChIKeyMGTDWEYJLSRMSJ-UHFFFAOYSA-N
MW265.34 g/mol
LogP3.93
Rot. Bonds

About 2,1-benzothiazole;quinazoline

2,1-benzothiazole;quinazoline (PubChem CID 145320674) has the molecular formula C15H11N3S and a molecular weight of 265.34 g/mol. Its IUPAC name is 2,1-benzothiazole;quinazoline.

Molecular Properties

Compound Name2,1-benzothiazole;quinazoline
PubChem CID145320674
Molecular FormulaC15H11N3S
Molecular Weight265.34 g/mol
Exact Mass265.07
IUPAC Name2,1-benzothiazole;quinazoline
SMILESc1ccc2ncncc2c1.c1ccc2nscc2c1
InChIInChI=1S/C8H6N2.C7H5NS/c1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-7-6(3-1)5-9-8-7/h1-6H;1-5H
InChIKeyMGTDWEYJLSRMSJ-UHFFFAOYSA-N
XLogP3.93
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 159567796
phenanthrene;quinazoline
CID 175352249
quinazoline;sulfuric acid
CID 68666384
pyridine;pentakis(1H-pyrrole);quinazoline
CID 161401177
oxalonitrile;pyridine;quinazoline;hydrochloride;hydrofluoride
CID 158007828
2,3-dihydro-1,3-oxazole;quinazoline
CID 137376662
1H-pyrazole;quinazoline
CID 157207291
N,N-dimethylnitramide;quinazoline
CID 18176213
2-hydroxypropanoic acid;quinazoline
CID 157213189
2-cyanoguanidine;quinazoline
CID 87079296
1H-indene;quinazoline
CID 159761989
1,2-dihydrocinnoline;quinazoline
CID 177193666

Frequently Asked Questions

What is the IUPAC name of 2,1-benzothiazole;quinazoline?
The IUPAC name of 2,1-benzothiazole;quinazoline (CID 145320674) is 2,1-benzothiazole;quinazoline.
What is the SMILES notation for 2,1-benzothiazole;quinazoline?
The canonical SMILES for 2,1-benzothiazole;quinazoline is c1ccc2ncncc2c1.c1ccc2nscc2c1.
What is the InChIKey of 2,1-benzothiazole;quinazoline?
The InChIKey is MGTDWEYJLSRMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2.C7H5NS/c1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-7-6(3-1)5-9-8-7/h1-6H;1-5H.
What are the key properties of 2,1-benzothiazole;quinazoline?
2,1-benzothiazole;quinazoline has a molecular weight of 265.34 g/mol, XLogP of 3.93, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,1-benzothiazole;quinazoline is sourced from PubChem (CID 145320674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).