3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenol

C16H14N4OS — CID 11289869

IUPAC3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenol
SMILESCc1nc2c(s1)-c1nc(Nc3cccc(O)c3)ncc1CC2
InChIInChI=1S/C16H14N4OS/c1-9-18-13-6-5-10-8-17-16(20-14(10)15(13)22-9)19-11-3-2-4-12(21)7-11/h2-4,7-8,21H,5-6H2,1H3,(H,17,19,20)
InChIKeyBHDMRJQKCJHJGQ-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.46
Rot. Bonds2

About 3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenol

3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenol (PubChem CID 11289869) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is 3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenol.

Molecular Properties

Compound Name3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenol
PubChem CID11289869
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC Name3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenol
SMILESCc1nc2c(s1)-c1nc(Nc3cccc(O)c3)ncc1CC2
InChIInChI=1S/C16H14N4OS/c1-9-18-13-6-5-10-8-17-16(20-14(10)15(13)22-9)19-11-3-2-4-12(21)7-11/h2-4,7-8,21H,5-6H2,1H3,(H,17,19,20)
InChIKeyBHDMRJQKCJHJGQ-UHFFFAOYSA-N
XLogP3.46
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenol?
The IUPAC name of 3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenol (CID 11289869) is 3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenol.
What is the SMILES notation for 3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenol?
The canonical SMILES for 3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenol is Cc1nc2c(s1)-c1nc(Nc3cccc(O)c3)ncc1CC2.
What is the InChIKey of 3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenol?
The InChIKey is BHDMRJQKCJHJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c1-9-18-13-6-5-10-8-17-16(20-14(10)15(13)22-9)19-11-3-2-4-12(21)7-11/h2-4,7-8,21H,5-6H2,1H3,(H,17,19,20).
What are the key properties of 3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenol?
3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenol has a molecular weight of 310.38 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl)amino]phenol is sourced from PubChem (CID 11289869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).