3-(3,5-dihydro-2H-[1,3]thiazolo[2,3-b]quinazolin-3-yl)phenol

C16H14N2OS — CID 58819985

IUPAC3-(3,5-dihydro-2H-[1,3]thiazolo[2,3-b]quinazolin-3-yl)phenol
SMILESOc1cccc(C2CSC3=Nc4ccccc4CN32)c1
InChIInChI=1S/C16H14N2OS/c19-13-6-3-5-11(8-13)15-10-20-16-17-14-7-2-1-4-12(14)9-18(15)16/h1-8,15,19H,9-10H2
InChIKeyKZWVHSQEIZLSGC-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.68
Rot. Bonds1

About 3-(3,5-dihydro-2H-[1,3]thiazolo[2,3-b]quinazolin-3-yl)phenol

3-(3,5-dihydro-2H-[1,3]thiazolo[2,3-b]quinazolin-3-yl)phenol (PubChem CID 58819985) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 3-(3,5-dihydro-2H-[1,3]thiazolo[2,3-b]quinazolin-3-yl)phenol.

Molecular Properties

Compound Name3-(3,5-dihydro-2H-[1,3]thiazolo[2,3-b]quinazolin-3-yl)phenol
PubChem CID58819985
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name3-(3,5-dihydro-2H-[1,3]thiazolo[2,3-b]quinazolin-3-yl)phenol
SMILESOc1cccc(C2CSC3=Nc4ccccc4CN32)c1
InChIInChI=1S/C16H14N2OS/c19-13-6-3-5-11(8-13)15-10-20-16-17-14-7-2-1-4-12(14)9-18(15)16/h1-8,15,19H,9-10H2
InChIKeyKZWVHSQEIZLSGC-UHFFFAOYSA-N
XLogP3.68
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4H-3,1-benzothiazin-2-yl)benzene-1,3-diol
CID 137243374
5H-[1,3]thiazolo[2,3-b]quinazoline;dihydrochloride
CID 169005273
(1S)-N-[2-(3-hydroxyphenyl)ethyl]-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxamide
CID 171343934
3-(2-methyl-5-phenyl-3,4-dihydropyrazol-3-yl)phenol
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3-[(2S,4aR,8aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-2-yl]phenol
CID 15456351
3-(oxiran-2-yl)phenol;phenol
CID 87353327
3-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)phenol
CID 79510385
2-(3-hydroxyphenyl)pyrrolidine-1-carbaldehyde
CID 174863712
3-(1-methylpiperazin-2-yl)phenol
CID 55262595
3-cyclohexylphenol
CID 16036
2-(3-hydroxyphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 143053715
4-(3-hydroxyphenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 24901544

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dihydro-2H-[1,3]thiazolo[2,3-b]quinazolin-3-yl)phenol?
The IUPAC name of 3-(3,5-dihydro-2H-[1,3]thiazolo[2,3-b]quinazolin-3-yl)phenol (CID 58819985) is 3-(3,5-dihydro-2H-[1,3]thiazolo[2,3-b]quinazolin-3-yl)phenol.
What is the SMILES notation for 3-(3,5-dihydro-2H-[1,3]thiazolo[2,3-b]quinazolin-3-yl)phenol?
The canonical SMILES for 3-(3,5-dihydro-2H-[1,3]thiazolo[2,3-b]quinazolin-3-yl)phenol is Oc1cccc(C2CSC3=Nc4ccccc4CN32)c1.
What is the InChIKey of 3-(3,5-dihydro-2H-[1,3]thiazolo[2,3-b]quinazolin-3-yl)phenol?
The InChIKey is KZWVHSQEIZLSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c19-13-6-3-5-11(8-13)15-10-20-16-17-14-7-2-1-4-12(14)9-18(15)16/h1-8,15,19H,9-10H2.
What are the key properties of 3-(3,5-dihydro-2H-[1,3]thiazolo[2,3-b]quinazolin-3-yl)phenol?
3-(3,5-dihydro-2H-[1,3]thiazolo[2,3-b]quinazolin-3-yl)phenol has a molecular weight of 282.37 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dihydro-2H-[1,3]thiazolo[2,3-b]quinazolin-3-yl)phenol is sourced from PubChem (CID 58819985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).