5-fluoro-7-methyl-7H-cyclohepta[d][1,3]thiazole

C9H8FNS — CID 170757459

IUPAC5-fluoro-7-methyl-7H-cyclohepta[d][1,3]thiazole
SMILESCC1C=C(F)C=c2ncsc2=C1
InChIInChI=1S/C9H8FNS/c1-6-2-7(10)4-8-9(3-6)12-5-11-8/h2-6H,1H3
InChIKeyXYTISJHGQQKBJL-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.21
Rot. Bonds

About 5-fluoro-7-methyl-7H-cyclohepta[d][1,3]thiazole

5-fluoro-7-methyl-7H-cyclohepta[d][1,3]thiazole (PubChem CID 170757459) has the molecular formula C9H8FNS and a molecular weight of 181.23 g/mol. Its IUPAC name is 5-fluoro-7-methyl-7H-cyclohepta[d][1,3]thiazole.

Molecular Properties

Compound Name5-fluoro-7-methyl-7H-cyclohepta[d][1,3]thiazole
PubChem CID170757459
Molecular FormulaC9H8FNS
Molecular Weight181.23 g/mol
Exact Mass181.04
IUPAC Name5-fluoro-7-methyl-7H-cyclohepta[d][1,3]thiazole
SMILESCC1C=C(F)C=c2ncsc2=C1
InChIInChI=1S/C9H8FNS/c1-6-2-7(10)4-8-9(3-6)12-5-11-8/h2-6H,1H3
InChIKeyXYTISJHGQQKBJL-UHFFFAOYSA-N
XLogP1.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.21
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
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
(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
5H-cyclohepta[d][1,3]thiazole
CID 123551915
6-ethyl-6,7-dihydro-5H-cyclohepta[d][1,3]thiazole
CID 123560106
4-Ethylidene-5-(2-methylprop-2-enylidene)-1,3-thiazole
CID 124006924
(4E,5E)-4,5-di(propylidene)-1,3-thiazole
CID 124189980
2-Propan-2-yl-8-thia-3,10-diazabicyclo[5.3.0]deca-1,3,4,6,9-pentaene
CID 138722116
2-Propan-2-yl-10-thia-3,8-diazabicyclo[5.3.0]deca-1,3,4,6,8-pentaene
CID 138745833

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-methyl-7H-cyclohepta[d][1,3]thiazole?
The IUPAC name of 5-fluoro-7-methyl-7H-cyclohepta[d][1,3]thiazole (CID 170757459) is 5-fluoro-7-methyl-7H-cyclohepta[d][1,3]thiazole.
What is the SMILES notation for 5-fluoro-7-methyl-7H-cyclohepta[d][1,3]thiazole?
The canonical SMILES for 5-fluoro-7-methyl-7H-cyclohepta[d][1,3]thiazole is CC1C=C(F)C=c2ncsc2=C1.
What is the InChIKey of 5-fluoro-7-methyl-7H-cyclohepta[d][1,3]thiazole?
The InChIKey is XYTISJHGQQKBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNS/c1-6-2-7(10)4-8-9(3-6)12-5-11-8/h2-6H,1H3.
What are the key properties of 5-fluoro-7-methyl-7H-cyclohepta[d][1,3]thiazole?
5-fluoro-7-methyl-7H-cyclohepta[d][1,3]thiazole has a molecular weight of 181.23 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-methyl-7H-cyclohepta[d][1,3]thiazole is sourced from PubChem (CID 170757459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).