2-(7-methoxyquinazolin-4-yl)sulfanyl-1,3-benzothiazole

C16H11N3OS2 — CID 110435768

IUPAC2-(7-methoxyquinazolin-4-yl)sulfanyl-1,3-benzothiazole
SMILESCOc1ccc2c(Sc3nc4ccccc4s3)ncnc2c1
InChIInChI=1S/C16H11N3OS2/c1-20-10-6-7-11-13(8-10)17-9-18-15(11)22-16-19-12-4-2-3-5-14(12)21-16/h2-9H,1H3
InChIKeyOCPFCMYHMVYRQN-UHFFFAOYSA-N
MW325.42 g/mol
LogP4.40
Rot. Bonds3

About 2-(7-methoxyquinazolin-4-yl)sulfanyl-1,3-benzothiazole

2-(7-methoxyquinazolin-4-yl)sulfanyl-1,3-benzothiazole (PubChem CID 110435768) has the molecular formula C16H11N3OS2 and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-(7-methoxyquinazolin-4-yl)sulfanyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-(7-methoxyquinazolin-4-yl)sulfanyl-1,3-benzothiazole
PubChem CID110435768
Molecular FormulaC16H11N3OS2
Molecular Weight325.42 g/mol
Exact Mass325.03
IUPAC Name2-(7-methoxyquinazolin-4-yl)sulfanyl-1,3-benzothiazole
SMILESCOc1ccc2c(Sc3nc4ccccc4s3)ncnc2c1
InChIInChI=1S/C16H11N3OS2/c1-20-10-6-7-11-13(8-10)17-9-18-15(11)22-16-19-12-4-2-3-5-14(12)21-16/h2-9H,1H3
InChIKeyOCPFCMYHMVYRQN-UHFFFAOYSA-N
XLogP4.40
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-2-methyl-1,3-benzothiazole;2-methylsulfanyl-1,3-benzothiazole
CID 67304255
2-(6-methylpyrimidin-4-yl)sulfanyl-1,3-benzothiazole
CID 78843311
6-(1,3-benzothiazol-2-ylsulfanyl)-5-chloropyrimidin-4-amine
CID 114049977
2-(6-chloropyrimidin-4-yl)sulfanyl-1,3-benzothiazole
CID 60726972
2-(1,3-benzothiazol-2-ylsulfanyl)-6-methoxypyridin-3-amine
CID 115321329
2-(1,3-benzothiazol-2-ylsulfanyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 78805429
2-(2-chloroquinazolin-4-yl)sulfanyl-1,3-benzothiazole
CID 22693192
6-methoxy-2-[(6-methoxy-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole
CID 20537765
2-[[2-(2,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3-benzothiazole
CID 34965167
2-(2-phenylquinazolin-4-yl)sulfanyl-1,3-benzothiazole
CID 7454001
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-quinazolin-4-ylsulfanylacetamide
CID 9325587
N-[3-(1,3-benzothiazol-2-ylsulfanyl)-4-hydroxynaphthalen-1-yl]-2,5-dimethoxybenzenesulfonamide
CID 58565683

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxyquinazolin-4-yl)sulfanyl-1,3-benzothiazole?
The IUPAC name of 2-(7-methoxyquinazolin-4-yl)sulfanyl-1,3-benzothiazole (CID 110435768) is 2-(7-methoxyquinazolin-4-yl)sulfanyl-1,3-benzothiazole.
What is the SMILES notation for 2-(7-methoxyquinazolin-4-yl)sulfanyl-1,3-benzothiazole?
The canonical SMILES for 2-(7-methoxyquinazolin-4-yl)sulfanyl-1,3-benzothiazole is COc1ccc2c(Sc3nc4ccccc4s3)ncnc2c1.
What is the InChIKey of 2-(7-methoxyquinazolin-4-yl)sulfanyl-1,3-benzothiazole?
The InChIKey is OCPFCMYHMVYRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3OS2/c1-20-10-6-7-11-13(8-10)17-9-18-15(11)22-16-19-12-4-2-3-5-14(12)21-16/h2-9H,1H3.
What are the key properties of 2-(7-methoxyquinazolin-4-yl)sulfanyl-1,3-benzothiazole?
2-(7-methoxyquinazolin-4-yl)sulfanyl-1,3-benzothiazole has a molecular weight of 325.42 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxyquinazolin-4-yl)sulfanyl-1,3-benzothiazole is sourced from PubChem (CID 110435768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).