ethane;5-methylcyclohepta[d][1,3]thiazole

C11H13NS — CID 143108302

IUPACethane;5-methylcyclohepta[d][1,3]thiazole
SMILESCC.CC1=CC=C=c2scnc2=C1
InChIInChI=1S/C9H7NS.C2H6/c1-7-3-2-4-9-8(5-7)10-6-11-9;1-2/h2-3,5-6H,1H3;1-2H3
InChIKeyOKGGMLAOCPTZTG-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.85
Rot. Bonds

About ethane;5-methylcyclohepta[d][1,3]thiazole

ethane;5-methylcyclohepta[d][1,3]thiazole (PubChem CID 143108302) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is ethane;5-methylcyclohepta[d][1,3]thiazole.

Molecular Properties

Compound Nameethane;5-methylcyclohepta[d][1,3]thiazole
PubChem CID143108302
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC Nameethane;5-methylcyclohepta[d][1,3]thiazole
SMILESCC.CC1=CC=C=c2scnc2=C1
InChIInChI=1S/C9H7NS.C2H6/c1-7-3-2-4-9-8(5-7)10-6-11-9;1-2/h2-3,5-6H,1H3;1-2H3
InChIKeyOKGGMLAOCPTZTG-UHFFFAOYSA-N
XLogP1.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-methyl-5-(trifluoromethyl)-7H-cyclohepta[d][1,3]thiazole
CID 170756234
5-fluoro-7-methyl-7H-cyclohepta[d][1,3]thiazole
CID 170757459
7-Ethyl-5-fluoro-7-methylcyclohepta[d][1,3]thiazole
CID 170755443
7-methyl-5H-1,3-benzothiazol-5-ide;vanadium
CID 58775459
4-methyl-6H-1,3-benzothiazol-6-ide;vanadium
CID 58775489
(5E)-5-butylidene-4-methylidene-1,3-thiazole
CID 89141823
(5Z,7Z)-7-methyl-4-methylidene-9H-1,3-thiazonine
CID 89832477
(5Z,7Z)-6,7-dimethyl-4-methylidene-9H-1,3-thiazonine
CID 89891585
methyl N-(3-methylocta-1,3,5-trien-2-yl)methanimidothioate
CID 123168665
5H-cyclohepta[d][1,3]thiazole
CID 123551915
6-ethyl-6,7-dihydro-5H-cyclohepta[d][1,3]thiazole
CID 123560106
4-But-2-enylidene-5-methyl-1,3-thiazole
CID 123875180

Frequently Asked Questions

What is the IUPAC name of ethane;5-methylcyclohepta[d][1,3]thiazole?
The IUPAC name of ethane;5-methylcyclohepta[d][1,3]thiazole (CID 143108302) is ethane;5-methylcyclohepta[d][1,3]thiazole.
What is the SMILES notation for ethane;5-methylcyclohepta[d][1,3]thiazole?
The canonical SMILES for ethane;5-methylcyclohepta[d][1,3]thiazole is CC.CC1=CC=C=c2scnc2=C1.
What is the InChIKey of ethane;5-methylcyclohepta[d][1,3]thiazole?
The InChIKey is OKGGMLAOCPTZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NS.C2H6/c1-7-3-2-4-9-8(5-7)10-6-11-9;1-2/h2-3,5-6H,1H3;1-2H3.
What are the key properties of ethane;5-methylcyclohepta[d][1,3]thiazole?
ethane;5-methylcyclohepta[d][1,3]thiazole has a molecular weight of 191.30 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methylcyclohepta[d][1,3]thiazole is sourced from PubChem (CID 143108302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).