3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-8-fluoro-5H-[1,3]thiazolo[2,3-b]quinazoline

C19H15FN4S2 — CID 169004971

IUPAC3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-8-fluoro-5H-[1,3]thiazolo[2,3-b]quinazoline
SMILESFc1ccc2c(c1)N=C1SC=C(CSC3=NCc4ccccc4N3)N1C2
InChIInChI=1S/C19H15FN4S2/c20-14-6-5-13-9-24-15(11-26-19(24)23-17(13)7-14)10-25-18-21-8-12-3-1-2-4-16(12)22-18/h1-7,11H,8-10H2,(H,21,22)
InChIKeyOQMHFPZMSCQHEI-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.93
Rot. Bonds2

About 3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-8-fluoro-5H-[1,3]thiazolo[2,3-b]quinazoline

3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-8-fluoro-5H-[1,3]thiazolo[2,3-b]quinazoline (PubChem CID 169004971) has the molecular formula C19H15FN4S2 and a molecular weight of 382.49 g/mol. Its IUPAC name is 3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-8-fluoro-5H-[1,3]thiazolo[2,3-b]quinazoline.

Molecular Properties

Compound Name3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-8-fluoro-5H-[1,3]thiazolo[2,3-b]quinazoline
PubChem CID169004971
Molecular FormulaC19H15FN4S2
Molecular Weight382.49 g/mol
Exact Mass382.07
IUPAC Name3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-8-fluoro-5H-[1,3]thiazolo[2,3-b]quinazoline
SMILESFc1ccc2c(c1)N=C1SC=C(CSC3=NCc4ccccc4N3)N1C2
InChIInChI=1S/C19H15FN4S2/c20-14-6-5-13-9-24-15(11-26-19(24)23-17(13)7-14)10-25-18-21-8-12-3-1-2-4-16(12)22-18/h1-7,11H,8-10H2,(H,21,22)
InChIKeyOQMHFPZMSCQHEI-UHFFFAOYSA-N
XLogP4.93
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-8-fluoro-5H-[1,3]thiazolo[2,3-b]quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-8-fluoro-5H-[1,3]thiazolo[2,3-b]quinazoline?
The IUPAC name of 3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-8-fluoro-5H-[1,3]thiazolo[2,3-b]quinazoline (CID 169004971) is 3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-8-fluoro-5H-[1,3]thiazolo[2,3-b]quinazoline.
What is the SMILES notation for 3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-8-fluoro-5H-[1,3]thiazolo[2,3-b]quinazoline?
The canonical SMILES for 3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-8-fluoro-5H-[1,3]thiazolo[2,3-b]quinazoline is Fc1ccc2c(c1)N=C1SC=C(CSC3=NCc4ccccc4N3)N1C2.
What is the InChIKey of 3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-8-fluoro-5H-[1,3]thiazolo[2,3-b]quinazoline?
The InChIKey is OQMHFPZMSCQHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4S2/c20-14-6-5-13-9-24-15(11-26-19(24)23-17(13)7-14)10-25-18-21-8-12-3-1-2-4-16(12)22-18/h1-7,11H,8-10H2,(H,21,22).
What are the key properties of 3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-8-fluoro-5H-[1,3]thiazolo[2,3-b]quinazoline?
3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-8-fluoro-5H-[1,3]thiazolo[2,3-b]quinazoline has a molecular weight of 382.49 g/mol, XLogP of 4.93, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-8-fluoro-5H-[1,3]thiazolo[2,3-b]quinazoline is sourced from PubChem (CID 169004971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).