8-N-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2,8-diamine

C15H13N5S — CID 11266412

IUPAC8-N-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2,8-diamine
SMILESNc1nc2c(s1)-c1nc(Nc3ccccc3)ncc1CC2
InChIInChI=1S/C15H13N5S/c16-14-19-11-7-6-9-8-17-15(20-12(9)13(11)21-14)18-10-4-2-1-3-5-10/h1-5,8H,6-7H2,(H2,16,19)(H,17,18,20)
InChIKeyKVWXCLSLVYUBDG-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.02
Rot. Bonds2

About 8-N-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2,8-diamine

8-N-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2,8-diamine (PubChem CID 11266412) has the molecular formula C15H13N5S and a molecular weight of 295.37 g/mol. Its IUPAC name is 8-N-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2,8-diamine.

Molecular Properties

Compound Name8-N-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2,8-diamine
PubChem CID11266412
Molecular FormulaC15H13N5S
Molecular Weight295.37 g/mol
Exact Mass295.09
IUPAC Name8-N-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2,8-diamine
SMILESNc1nc2c(s1)-c1nc(Nc3ccccc3)ncc1CC2
InChIInChI=1S/C15H13N5S/c16-14-19-11-7-6-9-8-17-15(20-12(9)13(11)21-14)18-10-4-2-1-3-5-10/h1-5,8H,6-7H2,(H2,16,19)(H,17,18,20)
InChIKeyKVWXCLSLVYUBDG-UHFFFAOYSA-N
XLogP3.02
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-N-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2,8-diamine?
The IUPAC name of 8-N-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2,8-diamine (CID 11266412) is 8-N-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2,8-diamine.
What is the SMILES notation for 8-N-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2,8-diamine?
The canonical SMILES for 8-N-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2,8-diamine is Nc1nc2c(s1)-c1nc(Nc3ccccc3)ncc1CC2.
What is the InChIKey of 8-N-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2,8-diamine?
The InChIKey is KVWXCLSLVYUBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5S/c16-14-19-11-7-6-9-8-17-15(20-12(9)13(11)21-14)18-10-4-2-1-3-5-10/h1-5,8H,6-7H2,(H2,16,19)(H,17,18,20).
What are the key properties of 8-N-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2,8-diamine?
8-N-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2,8-diamine has a molecular weight of 295.37 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2,8-diamine is sourced from PubChem (CID 11266412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).