4,8-dimethyl-2-phenyl-6,7-dihydro-5H-cyclohepta[d][1,3]thiazole

C16H17NS — CID 142318807

IUPAC4,8-dimethyl-2-phenyl-6,7-dihydro-5H-cyclohepta[d][1,3]thiazole
SMILESCC1=c2nc(-c3ccccc3)sc2=C(C)CCC1
InChIInChI=1S/C16H17NS/c1-11-7-6-8-12(2)15-14(11)17-16(18-15)13-9-4-3-5-10-13/h3-5,9-10H,6-8H2,1-2H3
InChIKeyXCLZIGHPLXJVBV-UHFFFAOYSA-N
MW255.39 g/mol
LogP3.34
Rot. Bonds1

About 4,8-dimethyl-2-phenyl-6,7-dihydro-5H-cyclohepta[d][1,3]thiazole

4,8-dimethyl-2-phenyl-6,7-dihydro-5H-cyclohepta[d][1,3]thiazole (PubChem CID 142318807) has the molecular formula C16H17NS and a molecular weight of 255.39 g/mol. Its IUPAC name is 4,8-dimethyl-2-phenyl-6,7-dihydro-5H-cyclohepta[d][1,3]thiazole.

Molecular Properties

Compound Name4,8-dimethyl-2-phenyl-6,7-dihydro-5H-cyclohepta[d][1,3]thiazole
PubChem CID142318807
Molecular FormulaC16H17NS
Molecular Weight255.39 g/mol
Exact Mass255.11
IUPAC Name4,8-dimethyl-2-phenyl-6,7-dihydro-5H-cyclohepta[d][1,3]thiazole
SMILESCC1=c2nc(-c3ccccc3)sc2=C(C)CCC1
InChIInChI=1S/C16H17NS/c1-11-7-6-8-12(2)15-14(11)17-16(18-15)13-9-4-3-5-10-13/h3-5,9-10H,6-8H2,1-2H3
InChIKeyXCLZIGHPLXJVBV-UHFFFAOYSA-N
XLogP3.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-difluorophenyl)-4,7-dimethyl-5,6-dihydro-1,3-benzothiazole
CID 142394323
4,7-dimethyl-2-(4-methyl-1-benzofuran-2-yl)-5,6-dihydro-1,3-benzothiazole
CID 142318793
(11R,12R)-8,11,12,15-tetramethyl-4,9,14-triphenyl-3,10,13-trithia-5-azatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,8,14-pentaene
CID 122381530
methanidyl-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)azanium
CID 59280512
(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine
CID 2795495
5-methoxy-4-methyl-2-phenyl-1,3-thiazole
CID 116887501
5-methyl-2-(4-phenylphenyl)-4-propyl-1,3-thiazole
CID 142193708
2,5-diphenyl-1,3,4-thiadiazole;ethane
CID 91287482
benzene;1,2-dimethylcyclopentene;ethane
CID 164574417
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
4-[2-(4-methylphenyl)ethyl]-2-phenyl-1,3-thiazole
CID 155185709
4-(furan-2-yl)-5-methyl-2-phenyl-1,3-thiazole
CID 114275041

Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-2-phenyl-6,7-dihydro-5H-cyclohepta[d][1,3]thiazole?
The IUPAC name of 4,8-dimethyl-2-phenyl-6,7-dihydro-5H-cyclohepta[d][1,3]thiazole (CID 142318807) is 4,8-dimethyl-2-phenyl-6,7-dihydro-5H-cyclohepta[d][1,3]thiazole.
What is the SMILES notation for 4,8-dimethyl-2-phenyl-6,7-dihydro-5H-cyclohepta[d][1,3]thiazole?
The canonical SMILES for 4,8-dimethyl-2-phenyl-6,7-dihydro-5H-cyclohepta[d][1,3]thiazole is CC1=c2nc(-c3ccccc3)sc2=C(C)CCC1.
What is the InChIKey of 4,8-dimethyl-2-phenyl-6,7-dihydro-5H-cyclohepta[d][1,3]thiazole?
The InChIKey is XCLZIGHPLXJVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NS/c1-11-7-6-8-12(2)15-14(11)17-16(18-15)13-9-4-3-5-10-13/h3-5,9-10H,6-8H2,1-2H3.
What are the key properties of 4,8-dimethyl-2-phenyl-6,7-dihydro-5H-cyclohepta[d][1,3]thiazole?
4,8-dimethyl-2-phenyl-6,7-dihydro-5H-cyclohepta[d][1,3]thiazole has a molecular weight of 255.39 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-2-phenyl-6,7-dihydro-5H-cyclohepta[d][1,3]thiazole is sourced from PubChem (CID 142318807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).