6-(2-phenyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine

C17H14N2OS — CID 82059333

IUPAC6-(2-phenyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)NCCO4)cs2)cc1
InChIInChI=1S/C17H14N2OS/c1-2-4-12(5-3-1)17-19-15(11-21-17)13-6-7-16-14(10-13)18-8-9-20-16/h1-7,10-11,18H,8-9H2
InChIKeyASQUCKIBQPDKBO-UHFFFAOYSA-N
MW294.38 g/mol
LogP4.28
Rot. Bonds2

About 6-(2-phenyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine

6-(2-phenyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 82059333) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 6-(2-phenyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name6-(2-phenyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID82059333
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name6-(2-phenyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)NCCO4)cs2)cc1
InChIInChI=1S/C17H14N2OS/c1-2-4-12(5-3-1)17-19-15(11-21-17)13-6-7-16-14(10-13)18-8-9-20-16/h1-7,10-11,18H,8-9H2
InChIKeyASQUCKIBQPDKBO-UHFFFAOYSA-N
XLogP4.28
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenyl-1,3-thiazole
CID 9320259
2-(1,3-benzodioxol-5-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole
CID 2811159
6-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116817431
6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-amine
CID 123650289
6-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 2455762
3-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]phenol
CID 28942294
6-(2-thiophen-2-yl-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 7529130
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-pyridin-2-ylthiophen-2-yl)-1,3-thiazole
CID 2811155
3-(2-phenyl-1,3-thiazol-4-yl)benzonitrile
CID 55219786
[4-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 39197619
4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-pyridin-4-yl-1H-imidazol-2-amine
CID 142578133
2-phenyl-4-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole
CID 67376788

Frequently Asked Questions

What is the IUPAC name of 6-(2-phenyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 6-(2-phenyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine (CID 82059333) is 6-(2-phenyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 6-(2-phenyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 6-(2-phenyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine is c1ccc(-c2nc(-c3ccc4c(c3)NCCO4)cs2)cc1.
What is the InChIKey of 6-(2-phenyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is ASQUCKIBQPDKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c1-2-4-12(5-3-1)17-19-15(11-21-17)13-6-7-16-14(10-13)18-8-9-20-16/h1-7,10-11,18H,8-9H2.
What are the key properties of 6-(2-phenyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine?
6-(2-phenyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 294.38 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 82059333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).