7-methyl-10b-phenyl-3,6-dihydro-2H-[1,3]thiazolo[3,2-c]quinazolin-5-one

C17H16N2OS — CID 23189181

IUPAC7-methyl-10b-phenyl-3,6-dihydro-2H-[1,3]thiazolo[3,2-c]quinazolin-5-one
SMILESCc1cccc2c1NC(=O)N1CCSC21c1ccccc1
InChIInChI=1S/C17H16N2OS/c1-12-6-5-9-14-15(12)18-16(20)19-10-11-21-17(14,19)13-7-3-2-4-8-13/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyNGCOMBMBZFIZMC-UHFFFAOYSA-N
MW296.39 g/mol
LogP3.79
Rot. Bonds1

About 7-methyl-10b-phenyl-3,6-dihydro-2H-[1,3]thiazolo[3,2-c]quinazolin-5-one

7-methyl-10b-phenyl-3,6-dihydro-2H-[1,3]thiazolo[3,2-c]quinazolin-5-one (PubChem CID 23189181) has the molecular formula C17H16N2OS and a molecular weight of 296.39 g/mol. Its IUPAC name is 7-methyl-10b-phenyl-3,6-dihydro-2H-[1,3]thiazolo[3,2-c]quinazolin-5-one.

Molecular Properties

Compound Name7-methyl-10b-phenyl-3,6-dihydro-2H-[1,3]thiazolo[3,2-c]quinazolin-5-one
PubChem CID23189181
Molecular FormulaC17H16N2OS
Molecular Weight296.39 g/mol
Exact Mass296.10
IUPAC Name7-methyl-10b-phenyl-3,6-dihydro-2H-[1,3]thiazolo[3,2-c]quinazolin-5-one
SMILESCc1cccc2c1NC(=O)N1CCSC21c1ccccc1
InChIInChI=1S/C17H16N2OS/c1-12-6-5-9-14-15(12)18-16(20)19-10-11-21-17(14,19)13-7-3-2-4-8-13/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyNGCOMBMBZFIZMC-UHFFFAOYSA-N
XLogP3.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methylsulfanyl-10b-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-c]quinazoline
CID 23189183
9b-[3-(dimethylamino)phenyl]-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one
CID 23178303
(9bR)-9b-(4-bromophenyl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one
CID 15007646
2-(3-ethylphenyl)-3-thia-6,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one
CID 67756043
8-fluoro-9b-(3-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one
CID 23178247
2-(6-methyl-2-pyridinyl)-3-thia-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one
CID 67757476
8-methylspiro[1,3-dihydroquinazoline-4,1'-cyclopropane]-2-one
CID 115017507
9b-(9H-carbazol-1-yl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one
CID 23178276
7-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione
CID 134431962
(4R)-N-ethyl-4,8-dimethyl-4-phenyl-1H-3,1-benzoxazin-2-imine
CID 164671389
10b-(3-chlorophenyl)-3,6-dihydro-2H-[1,3]oxazolo[3,2-c]quinazolin-5-one
CID 67798918
10-methyl-2,4,4a,6-tetrahydro-1H-[1,4]thiazino[4,3-a]quinoxalin-5-one
CID 82909395

Frequently Asked Questions

What is the IUPAC name of 7-methyl-10b-phenyl-3,6-dihydro-2H-[1,3]thiazolo[3,2-c]quinazolin-5-one?
The IUPAC name of 7-methyl-10b-phenyl-3,6-dihydro-2H-[1,3]thiazolo[3,2-c]quinazolin-5-one (CID 23189181) is 7-methyl-10b-phenyl-3,6-dihydro-2H-[1,3]thiazolo[3,2-c]quinazolin-5-one.
What is the SMILES notation for 7-methyl-10b-phenyl-3,6-dihydro-2H-[1,3]thiazolo[3,2-c]quinazolin-5-one?
The canonical SMILES for 7-methyl-10b-phenyl-3,6-dihydro-2H-[1,3]thiazolo[3,2-c]quinazolin-5-one is Cc1cccc2c1NC(=O)N1CCSC21c1ccccc1.
What is the InChIKey of 7-methyl-10b-phenyl-3,6-dihydro-2H-[1,3]thiazolo[3,2-c]quinazolin-5-one?
The InChIKey is NGCOMBMBZFIZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-12-6-5-9-14-15(12)18-16(20)19-10-11-21-17(14,19)13-7-3-2-4-8-13/h2-9H,10-11H2,1H3,(H,18,20).
What are the key properties of 7-methyl-10b-phenyl-3,6-dihydro-2H-[1,3]thiazolo[3,2-c]quinazolin-5-one?
7-methyl-10b-phenyl-3,6-dihydro-2H-[1,3]thiazolo[3,2-c]quinazolin-5-one has a molecular weight of 296.39 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-10b-phenyl-3,6-dihydro-2H-[1,3]thiazolo[3,2-c]quinazolin-5-one is sourced from PubChem (CID 23189181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).