5H-[1,3]thiazolo[2,3-b]quinazoline;dihydrochloride

C10H10Cl2N2S — CID 169005273

IUPAC5H-[1,3]thiazolo[2,3-b]quinazoline;dihydrochloride
SMILESC1=CN2Cc3ccccc3N=C2S1.Cl.Cl
InChIInChI=1S/C10H8N2S.2ClH/c1-2-4-9-8(3-1)7-12-5-6-13-10(12)11-9;;/h1-6H,7H2;2*1H
InChIKeyDXFQJTLQROGYTJ-UHFFFAOYSA-N
MW261.18 g/mol
LogP3.55
Rot. Bonds

About 5H-[1,3]thiazolo[2,3-b]quinazoline;dihydrochloride

5H-[1,3]thiazolo[2,3-b]quinazoline;dihydrochloride (PubChem CID 169005273) has the molecular formula C10H10Cl2N2S and a molecular weight of 261.18 g/mol. Its IUPAC name is 5H-[1,3]thiazolo[2,3-b]quinazoline;dihydrochloride.

Molecular Properties

Compound Name5H-[1,3]thiazolo[2,3-b]quinazoline;dihydrochloride
PubChem CID169005273
Molecular FormulaC10H10Cl2N2S
Molecular Weight261.18 g/mol
Exact Mass259.99
IUPAC Name5H-[1,3]thiazolo[2,3-b]quinazoline;dihydrochloride
SMILESC1=CN2Cc3ccccc3N=C2S1.Cl.Cl
InChIInChI=1S/C10H8N2S.2ClH/c1-2-4-9-8(3-1)7-12-5-6-13-10(12)11-9;;/h1-6H,7H2;2*1H
InChIKeyDXFQJTLQROGYTJ-UHFFFAOYSA-N
XLogP3.55
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.18
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5H-[1,3]thiazolo[2,3-b]quinazoline;dihydrochloride?
The IUPAC name of 5H-[1,3]thiazolo[2,3-b]quinazoline;dihydrochloride (CID 169005273) is 5H-[1,3]thiazolo[2,3-b]quinazoline;dihydrochloride.
What is the SMILES notation for 5H-[1,3]thiazolo[2,3-b]quinazoline;dihydrochloride?
The canonical SMILES for 5H-[1,3]thiazolo[2,3-b]quinazoline;dihydrochloride is C1=CN2Cc3ccccc3N=C2S1.Cl.Cl.
What is the InChIKey of 5H-[1,3]thiazolo[2,3-b]quinazoline;dihydrochloride?
The InChIKey is DXFQJTLQROGYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2S.2ClH/c1-2-4-9-8(3-1)7-12-5-6-13-10(12)11-9;;/h1-6H,7H2;2*1H.
What are the key properties of 5H-[1,3]thiazolo[2,3-b]quinazoline;dihydrochloride?
5H-[1,3]thiazolo[2,3-b]quinazoline;dihydrochloride has a molecular weight of 261.18 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-[1,3]thiazolo[2,3-b]quinazoline;dihydrochloride is sourced from PubChem (CID 169005273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).