3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-7-fluoro-5H-[1,3]thiazolo[2,3-b]quinazoline

C19H15FN4S2 — CID 169005059

IUPAC3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-7-fluoro-5H-[1,3]thiazolo[2,3-b]quinazoline
SMILESFc1ccc2c(c1)CN1C(CSC3=NCc4ccccc4N3)=CSC1=N2
InChIInChI=1S/C19H15FN4S2/c20-14-5-6-17-13(7-14)9-24-15(11-26-19(24)23-17)10-25-18-21-8-12-3-1-2-4-16(12)22-18/h1-7,11H,8-10H2,(H,21,22)
InChIKeyVIKYXMOQKLRTCF-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.93
Rot. Bonds2

About 3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-7-fluoro-5H-[1,3]thiazolo[2,3-b]quinazoline

3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-7-fluoro-5H-[1,3]thiazolo[2,3-b]quinazoline (PubChem CID 169005059) has the molecular formula C19H15FN4S2 and a molecular weight of 382.49 g/mol. Its IUPAC name is 3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-7-fluoro-5H-[1,3]thiazolo[2,3-b]quinazoline.

Molecular Properties

Compound Name3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-7-fluoro-5H-[1,3]thiazolo[2,3-b]quinazoline
PubChem CID169005059
Molecular FormulaC19H15FN4S2
Molecular Weight382.49 g/mol
Exact Mass382.07
IUPAC Name3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-7-fluoro-5H-[1,3]thiazolo[2,3-b]quinazoline
SMILESFc1ccc2c(c1)CN1C(CSC3=NCc4ccccc4N3)=CSC1=N2
InChIInChI=1S/C19H15FN4S2/c20-14-5-6-17-13(7-14)9-24-15(11-26-19(24)23-17)10-25-18-21-8-12-3-1-2-4-16(12)22-18/h1-7,11H,8-10H2,(H,21,22)
InChIKeyVIKYXMOQKLRTCF-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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-7-fluoro-5H-[1,3]thiazolo[2,3-b]quinazoline?
The IUPAC name of 3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-7-fluoro-5H-[1,3]thiazolo[2,3-b]quinazoline (CID 169005059) is 3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-7-fluoro-5H-[1,3]thiazolo[2,3-b]quinazoline.
What is the SMILES notation for 3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-7-fluoro-5H-[1,3]thiazolo[2,3-b]quinazoline?
The canonical SMILES for 3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-7-fluoro-5H-[1,3]thiazolo[2,3-b]quinazoline is Fc1ccc2c(c1)CN1C(CSC3=NCc4ccccc4N3)=CSC1=N2.
What is the InChIKey of 3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-7-fluoro-5H-[1,3]thiazolo[2,3-b]quinazoline?
The InChIKey is VIKYXMOQKLRTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4S2/c20-14-5-6-17-13(7-14)9-24-15(11-26-19(24)23-17)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)-7-fluoro-5H-[1,3]thiazolo[2,3-b]quinazoline?
3-(1,4-dihydroquinazolin-2-ylsulfanylmethyl)-7-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)-7-fluoro-5H-[1,3]thiazolo[2,3-b]quinazoline is sourced from PubChem (CID 169005059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).