7-methyl-7-propan-2-yl-5-(trifluoromethyl)cyclohepta[d][1,3]thiazole

C13H14F3NS — CID 170755631

IUPAC7-methyl-7-propan-2-yl-5-(trifluoromethyl)cyclohepta[d][1,3]thiazole
SMILESCC(C)C1(C)C=C(C(F)(F)F)C=c2ncsc2=C1
InChIInChI=1S/C13H14F3NS/c1-8(2)12(3)5-9(13(14,15)16)4-10-11(6-12)18-7-17-10/h4-8H,1-3H3
InChIKeyLNTJVTNSXDDXSI-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.87
Rot. Bonds1

About 7-methyl-7-propan-2-yl-5-(trifluoromethyl)cyclohepta[d][1,3]thiazole

7-methyl-7-propan-2-yl-5-(trifluoromethyl)cyclohepta[d][1,3]thiazole (PubChem CID 170755631) has the molecular formula C13H14F3NS and a molecular weight of 273.32 g/mol. Its IUPAC name is 7-methyl-7-propan-2-yl-5-(trifluoromethyl)cyclohepta[d][1,3]thiazole.

Molecular Properties

Compound Name7-methyl-7-propan-2-yl-5-(trifluoromethyl)cyclohepta[d][1,3]thiazole
PubChem CID170755631
Molecular FormulaC13H14F3NS
Molecular Weight273.32 g/mol
Exact Mass273.08
IUPAC Name7-methyl-7-propan-2-yl-5-(trifluoromethyl)cyclohepta[d][1,3]thiazole
SMILESCC(C)C1(C)C=C(C(F)(F)F)C=c2ncsc2=C1
InChIInChI=1S/C13H14F3NS/c1-8(2)12(3)5-9(13(14,15)16)4-10-11(6-12)18-7-17-10/h4-8H,1-3H3
InChIKeyLNTJVTNSXDDXSI-UHFFFAOYSA-N
XLogP2.87
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.87
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-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
7-Ethyl-5-fluoro-7-methylcyclohepta[d][1,3]thiazole
CID 170755443
Ethane;7-methyl-7-propan-2-ylcyclohepta[d][1,3]thiazole
CID 143877837
5-Methyl-5-propan-2-ylcyclohepta[d][1,3]thiazole
CID 148629209
6,7,7-Trimethyl-5-propan-2-ylcyclohepta[d][1,3]thiazole
CID 153635468
Ethane;7-ethyl-5-fluoro-7-methylcyclohepta[d][1,3]thiazole
CID 170755442
7-Tert-butyl-7-methylcyclohepta[d][1,3]thiazole
CID 170755769
7-Methyl-7-propan-2-ylcyclohepta[d][1,3]thiazole
CID 143877838

Frequently Asked Questions

What is the IUPAC name of 7-methyl-7-propan-2-yl-5-(trifluoromethyl)cyclohepta[d][1,3]thiazole?
The IUPAC name of 7-methyl-7-propan-2-yl-5-(trifluoromethyl)cyclohepta[d][1,3]thiazole (CID 170755631) is 7-methyl-7-propan-2-yl-5-(trifluoromethyl)cyclohepta[d][1,3]thiazole.
What is the SMILES notation for 7-methyl-7-propan-2-yl-5-(trifluoromethyl)cyclohepta[d][1,3]thiazole?
The canonical SMILES for 7-methyl-7-propan-2-yl-5-(trifluoromethyl)cyclohepta[d][1,3]thiazole is CC(C)C1(C)C=C(C(F)(F)F)C=c2ncsc2=C1.
What is the InChIKey of 7-methyl-7-propan-2-yl-5-(trifluoromethyl)cyclohepta[d][1,3]thiazole?
The InChIKey is LNTJVTNSXDDXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NS/c1-8(2)12(3)5-9(13(14,15)16)4-10-11(6-12)18-7-17-10/h4-8H,1-3H3.
What are the key properties of 7-methyl-7-propan-2-yl-5-(trifluoromethyl)cyclohepta[d][1,3]thiazole?
7-methyl-7-propan-2-yl-5-(trifluoromethyl)cyclohepta[d][1,3]thiazole has a molecular weight of 273.32 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-7-propan-2-yl-5-(trifluoromethyl)cyclohepta[d][1,3]thiazole is sourced from PubChem (CID 170755631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).