5-fluoro-7-methyl-7-propan-2-ylcyclohepta[d][1,3]thiazole

C12H14FNS — CID 170756304

IUPAC5-fluoro-7-methyl-7-propan-2-ylcyclohepta[d][1,3]thiazole
SMILESCC(C)C1(C)C=C(F)C=c2ncsc2=C1
InChIInChI=1S/C12H14FNS/c1-8(2)12(3)5-9(13)4-10-11(6-12)15-7-14-10/h4-8H,1-3H3
InChIKeyHVAMTVHVSYHWON-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.23
Rot. Bonds1

About 5-fluoro-7-methyl-7-propan-2-ylcyclohepta[d][1,3]thiazole

5-fluoro-7-methyl-7-propan-2-ylcyclohepta[d][1,3]thiazole (PubChem CID 170756304) has the molecular formula C12H14FNS and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-fluoro-7-methyl-7-propan-2-ylcyclohepta[d][1,3]thiazole.

Molecular Properties

Compound Name5-fluoro-7-methyl-7-propan-2-ylcyclohepta[d][1,3]thiazole
PubChem CID170756304
Molecular FormulaC12H14FNS
Molecular Weight223.32 g/mol
Exact Mass223.08
IUPAC Name5-fluoro-7-methyl-7-propan-2-ylcyclohepta[d][1,3]thiazole
SMILESCC(C)C1(C)C=C(F)C=c2ncsc2=C1
InChIInChI=1S/C12H14FNS/c1-8(2)12(3)5-9(13)4-10-11(6-12)15-7-14-10/h4-8H,1-3H3
InChIKeyHVAMTVHVSYHWON-UHFFFAOYSA-N
XLogP2.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-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
6-ethyl-6,7-dihydro-5H-cyclohepta[d][1,3]thiazole
CID 123560106
5,5-Dimethylcyclohepta[d][1,3]thiazole
CID 141904836
5,7,7-Trimethylcyclohepta[d][1,3]thiazole
CID 142240545
5,7-dimethyl-7H-cyclohepta[d][1,3]thiazole
CID 143657117
7,7-Dimethylcyclohepta[d][1,3]thiazole
CID 143871736
Ethane;7-methyl-7-propan-2-ylcyclohepta[d][1,3]thiazole
CID 143877837
5-(2-methylbutan-2-yl)-5H-cyclohepta[d][1,3]thiazole
CID 145130228

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-methyl-7-propan-2-ylcyclohepta[d][1,3]thiazole?
The IUPAC name of 5-fluoro-7-methyl-7-propan-2-ylcyclohepta[d][1,3]thiazole (CID 170756304) is 5-fluoro-7-methyl-7-propan-2-ylcyclohepta[d][1,3]thiazole.
What is the SMILES notation for 5-fluoro-7-methyl-7-propan-2-ylcyclohepta[d][1,3]thiazole?
The canonical SMILES for 5-fluoro-7-methyl-7-propan-2-ylcyclohepta[d][1,3]thiazole is CC(C)C1(C)C=C(F)C=c2ncsc2=C1.
What is the InChIKey of 5-fluoro-7-methyl-7-propan-2-ylcyclohepta[d][1,3]thiazole?
The InChIKey is HVAMTVHVSYHWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNS/c1-8(2)12(3)5-9(13)4-10-11(6-12)15-7-14-10/h4-8H,1-3H3.
What are the key properties of 5-fluoro-7-methyl-7-propan-2-ylcyclohepta[d][1,3]thiazole?
5-fluoro-7-methyl-7-propan-2-ylcyclohepta[d][1,3]thiazole has a molecular weight of 223.32 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-methyl-7-propan-2-ylcyclohepta[d][1,3]thiazole is sourced from PubChem (CID 170756304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).