[1]benzothiolo[3,2-f]quinazoline-1,3-diamine

C14H10N4S — CID 622355

IUPAC[1]benzothiolo[3,2-f]quinazoline-1,3-diamine
SMILESNc1nc(N)c2c(ccc3sc4ccccc4c32)n1
InChIInChI=1S/C14H10N4S/c15-13-12-8(17-14(16)18-13)5-6-10-11(12)7-3-1-2-4-9(7)19-10/h1-6H,(H4,15,16,17,18)
InChIKeyYCHOZHVLHLMZJP-UHFFFAOYSA-N
MW266.33 g/mol
LogP3.16
Rot. Bonds

About [1]benzothiolo[3,2-f]quinazoline-1,3-diamine

[1]benzothiolo[3,2-f]quinazoline-1,3-diamine (PubChem CID 622355) has the molecular formula C14H10N4S and a molecular weight of 266.33 g/mol. Its IUPAC name is [1]benzothiolo[3,2-f]quinazoline-1,3-diamine.

Molecular Properties

Compound Name[1]benzothiolo[3,2-f]quinazoline-1,3-diamine
PubChem CID622355
Molecular FormulaC14H10N4S
Molecular Weight266.33 g/mol
Exact Mass266.06
IUPAC Name[1]benzothiolo[3,2-f]quinazoline-1,3-diamine
SMILESNc1nc(N)c2c(ccc3sc4ccccc4c32)n1
InChIInChI=1S/C14H10N4S/c15-13-12-8(17-14(16)18-13)5-6-10-11(12)7-3-1-2-4-9(7)19-10/h1-6H,(H4,15,16,17,18)
InChIKeyYCHOZHVLHLMZJP-UHFFFAOYSA-N
XLogP3.16
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1]benzothiolo[3,2-f]quinazoline-1,3-diamine?
The IUPAC name of [1]benzothiolo[3,2-f]quinazoline-1,3-diamine (CID 622355) is [1]benzothiolo[3,2-f]quinazoline-1,3-diamine.
What is the SMILES notation for [1]benzothiolo[3,2-f]quinazoline-1,3-diamine?
The canonical SMILES for [1]benzothiolo[3,2-f]quinazoline-1,3-diamine is Nc1nc(N)c2c(ccc3sc4ccccc4c32)n1.
What is the InChIKey of [1]benzothiolo[3,2-f]quinazoline-1,3-diamine?
The InChIKey is YCHOZHVLHLMZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4S/c15-13-12-8(17-14(16)18-13)5-6-10-11(12)7-3-1-2-4-9(7)19-10/h1-6H,(H4,15,16,17,18).
What are the key properties of [1]benzothiolo[3,2-f]quinazoline-1,3-diamine?
[1]benzothiolo[3,2-f]quinazoline-1,3-diamine has a molecular weight of 266.33 g/mol, XLogP of 3.16, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1]benzothiolo[3,2-f]quinazoline-1,3-diamine is sourced from PubChem (CID 622355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).