ethane;2-(3-methylphenyl)-7H-cyclohepta[d][1,3]thiazole

C17H19NS — CID 143845047

IUPACethane;2-(3-methylphenyl)-7H-cyclohepta[d][1,3]thiazole
SMILESCC.Cc1cccc(-c2nc3c(s2)=CCC=CC=3)c1
InChIInChI=1S/C15H13NS.C2H6/c1-11-6-5-7-12(10-11)15-16-13-8-3-2-4-9-14(13)17-15;1-2/h2-3,5-10H,4H2,1H3;1-2H3
InChIKeyDAETVYDKUHFHHF-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.67
Rot. Bonds1

About ethane;2-(3-methylphenyl)-7H-cyclohepta[d][1,3]thiazole

ethane;2-(3-methylphenyl)-7H-cyclohepta[d][1,3]thiazole (PubChem CID 143845047) has the molecular formula C17H19NS and a molecular weight of 269.41 g/mol. Its IUPAC name is ethane;2-(3-methylphenyl)-7H-cyclohepta[d][1,3]thiazole.

Molecular Properties

Compound Nameethane;2-(3-methylphenyl)-7H-cyclohepta[d][1,3]thiazole
PubChem CID143845047
Molecular FormulaC17H19NS
Molecular Weight269.41 g/mol
Exact Mass269.12
IUPAC Nameethane;2-(3-methylphenyl)-7H-cyclohepta[d][1,3]thiazole
SMILESCC.Cc1cccc(-c2nc3c(s2)=CCC=CC=3)c1
InChIInChI=1S/C15H13NS.C2H6/c1-11-6-5-7-12(10-11)15-16-13-8-3-2-4-9-14(13)17-15;1-2/h2-3,5-10H,4H2,1H3;1-2H3
InChIKeyDAETVYDKUHFHHF-UHFFFAOYSA-N
XLogP3.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 143177369
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2-(3-methylphenyl)-1,3-thiazole-4,5-diol
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2-(3-methylphenyl)-1,3-benzothiazol-7-amine
CID 82231870
[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]hydrazine
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2-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid
CID 82134562
2-(methylamino)-6-(3-methylphenyl)-1,3,5-thiadiazine-4-thione
CID 13356050
5-(3-methylphenyl)-3-phenyl-1,2,4-thiadiazole
CID 146169333
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
4-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116887735
1,1'-biphenyl;1-cyclopenta-1,3-dien-1-yl-3-methylbenzene
CID 174397877
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CID 142374611

Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-methylphenyl)-7H-cyclohepta[d][1,3]thiazole?
The IUPAC name of ethane;2-(3-methylphenyl)-7H-cyclohepta[d][1,3]thiazole (CID 143845047) is ethane;2-(3-methylphenyl)-7H-cyclohepta[d][1,3]thiazole.
What is the SMILES notation for ethane;2-(3-methylphenyl)-7H-cyclohepta[d][1,3]thiazole?
The canonical SMILES for ethane;2-(3-methylphenyl)-7H-cyclohepta[d][1,3]thiazole is CC.Cc1cccc(-c2nc3c(s2)=CCC=CC=3)c1.
What is the InChIKey of ethane;2-(3-methylphenyl)-7H-cyclohepta[d][1,3]thiazole?
The InChIKey is DAETVYDKUHFHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NS.C2H6/c1-11-6-5-7-12(10-11)15-16-13-8-3-2-4-9-14(13)17-15;1-2/h2-3,5-10H,4H2,1H3;1-2H3.
What are the key properties of ethane;2-(3-methylphenyl)-7H-cyclohepta[d][1,3]thiazole?
ethane;2-(3-methylphenyl)-7H-cyclohepta[d][1,3]thiazole has a molecular weight of 269.41 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-methylphenyl)-7H-cyclohepta[d][1,3]thiazole is sourced from PubChem (CID 143845047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).