5-methylsulfanyl-10b-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-c]quinazoline

C17H16N2S2 — CID 23189183

IUPAC5-methylsulfanyl-10b-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-c]quinazoline
SMILESCSC1=Nc2ccccc2C2(c3ccccc3)SCCN12
InChIInChI=1S/C17H16N2S2/c1-20-16-18-15-10-6-5-9-14(15)17(19(16)11-12-21-17)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKeyCSGNJCCTLMEXQC-UHFFFAOYSA-N
MW312.46 g/mol
LogP4.30
Rot. Bonds1

About 5-methylsulfanyl-10b-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-c]quinazoline

5-methylsulfanyl-10b-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-c]quinazoline (PubChem CID 23189183) has the molecular formula C17H16N2S2 and a molecular weight of 312.46 g/mol. Its IUPAC name is 5-methylsulfanyl-10b-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-c]quinazoline.

Molecular Properties

Compound Name5-methylsulfanyl-10b-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-c]quinazoline
PubChem CID23189183
Molecular FormulaC17H16N2S2
Molecular Weight312.46 g/mol
Exact Mass312.08
IUPAC Name5-methylsulfanyl-10b-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-c]quinazoline
SMILESCSC1=Nc2ccccc2C2(c3ccccc3)SCCN12
InChIInChI=1S/C17H16N2S2/c1-20-16-18-15-10-6-5-9-14(15)17(19(16)11-12-21-17)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKeyCSGNJCCTLMEXQC-UHFFFAOYSA-N
XLogP4.30
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-10b-phenyl-3,6-dihydro-2H-[1,3]thiazolo[3,2-c]quinazolin-5-one
CID 23189181
8-fluoro-9b-(3-fluorophenyl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one
CID 23178247
(9bR)-9b-(4-bromophenyl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one
CID 15007646
9b-[3-(dimethylamino)phenyl]-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one
CID 23178303
10b-phenyl-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-amine
CID 139673479
phenyl-(2-phenyl-2-pyridin-2-yl-1,3-thiazolidin-3-yl)methanone
CID 67898559
2-methylsulfanyl-3-phenyl-5H-1,3-benzodiazepine-4-thione
CID 102166943
6-methylsulfanyl-13,15-dihydro-8H-phthalazino[2,3-c][1,3,4]benzotriazepine
CID 10589988
3',3'-diphenylspiro[1,3-oxathiolane-2,4'-quinoline]
CID 101462245
2-(3-ethylphenyl)-3-thia-6,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one
CID 67756043
3-[(2,2-diphenylthiolan-3-yl)disulfanyl]-2,2-diphenylthiolane
CID 13207735
2-(3,3-diphenylindol-2-yl)sulfanyl-1-phenylpropan-1-one
CID 10836543

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-10b-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-c]quinazoline?
The IUPAC name of 5-methylsulfanyl-10b-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-c]quinazoline (CID 23189183) is 5-methylsulfanyl-10b-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-c]quinazoline.
What is the SMILES notation for 5-methylsulfanyl-10b-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-c]quinazoline?
The canonical SMILES for 5-methylsulfanyl-10b-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-c]quinazoline is CSC1=Nc2ccccc2C2(c3ccccc3)SCCN12.
What is the InChIKey of 5-methylsulfanyl-10b-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-c]quinazoline?
The InChIKey is CSGNJCCTLMEXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S2/c1-20-16-18-15-10-6-5-9-14(15)17(19(16)11-12-21-17)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3.
What are the key properties of 5-methylsulfanyl-10b-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-c]quinazoline?
5-methylsulfanyl-10b-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-c]quinazoline has a molecular weight of 312.46 g/mol, XLogP of 4.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-10b-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-c]quinazoline is sourced from PubChem (CID 23189183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).