7-methyl-5-(trifluoromethyl)-7H-cyclohepta[d][1,3]thiazole

C10H8F3NS — CID 170756234

IUPAC7-methyl-5-(trifluoromethyl)-7H-cyclohepta[d][1,3]thiazole
SMILESCC1C=C(C(F)(F)F)C=c2ncsc2=C1
InChIInChI=1S/C10H8F3NS/c1-6-2-7(10(11,12)13)4-8-9(3-6)15-5-14-8/h2-6H,1H3
InChIKeyNLXATQDPBACVGW-UHFFFAOYSA-N
MW231.24 g/mol
LogP1.84
Rot. Bonds

About 7-methyl-5-(trifluoromethyl)-7H-cyclohepta[d][1,3]thiazole

7-methyl-5-(trifluoromethyl)-7H-cyclohepta[d][1,3]thiazole (PubChem CID 170756234) has the molecular formula C10H8F3NS and a molecular weight of 231.24 g/mol. Its IUPAC name is 7-methyl-5-(trifluoromethyl)-7H-cyclohepta[d][1,3]thiazole.

Molecular Properties

Compound Name7-methyl-5-(trifluoromethyl)-7H-cyclohepta[d][1,3]thiazole
PubChem CID170756234
Molecular FormulaC10H8F3NS
Molecular Weight231.24 g/mol
Exact Mass231.03
IUPAC Name7-methyl-5-(trifluoromethyl)-7H-cyclohepta[d][1,3]thiazole
SMILESCC1C=C(C(F)(F)F)C=c2ncsc2=C1
InChIInChI=1S/C10H8F3NS/c1-6-2-7(10(11,12)13)4-8-9(3-6)15-5-14-8/h2-6H,1H3
InChIKeyNLXATQDPBACVGW-UHFFFAOYSA-N
XLogP1.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4E,5E)-5-propylidene-4-(3,3,3-trifluoropropylidene)-1,3-thiazole
CID 137417364
7-Methyl-7-propan-2-yl-5-(trifluoromethyl)cyclohepta[d][1,3]thiazole
CID 170755631
5-Fluoro-7-methyl-7-propan-2-ylcyclohepta[d][1,3]thiazole
CID 170756304
5-fluoro-7-methyl-7H-cyclohepta[d][1,3]thiazole
CID 170757459
(5Z)-5-(1-fluoro-3-methyl-2-methylidenebutylidene)-4-methylidene-1,3-thiazole
CID 178009408
2-methyl-6-(trifluoromethyl)-7H-cyclohepta[d][1,3]thiazole
CID 162553782
7-Ethyl-5-fluoro-7-methylcyclohepta[d][1,3]thiazole
CID 170755443
4-Ethylidene-5-(2-methylprop-2-enylidene)-1,3-thiazole
CID 124006924
2-Propan-2-yl-10-thia-3,8-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene
CID 138745833
(4E)-4-[(Z)-2-methylbut-2-enylidene]-5-methylidene-1,3-thiazole
CID 141864711
5,5-Dimethylcyclohepta[d][1,3]thiazole
CID 141904836
6-methyl-8aH-cyclohepta[d][1,3]thiazole
CID 141971961

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-(trifluoromethyl)-7H-cyclohepta[d][1,3]thiazole?
The IUPAC name of 7-methyl-5-(trifluoromethyl)-7H-cyclohepta[d][1,3]thiazole (CID 170756234) is 7-methyl-5-(trifluoromethyl)-7H-cyclohepta[d][1,3]thiazole.
What is the SMILES notation for 7-methyl-5-(trifluoromethyl)-7H-cyclohepta[d][1,3]thiazole?
The canonical SMILES for 7-methyl-5-(trifluoromethyl)-7H-cyclohepta[d][1,3]thiazole is CC1C=C(C(F)(F)F)C=c2ncsc2=C1.
What is the InChIKey of 7-methyl-5-(trifluoromethyl)-7H-cyclohepta[d][1,3]thiazole?
The InChIKey is NLXATQDPBACVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NS/c1-6-2-7(10(11,12)13)4-8-9(3-6)15-5-14-8/h2-6H,1H3.
What are the key properties of 7-methyl-5-(trifluoromethyl)-7H-cyclohepta[d][1,3]thiazole?
7-methyl-5-(trifluoromethyl)-7H-cyclohepta[d][1,3]thiazole has a molecular weight of 231.24 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-(trifluoromethyl)-7H-cyclohepta[d][1,3]thiazole is sourced from PubChem (CID 170756234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).