4-fluoro-7-propan-2-yl-1,2-benzothiazole

C10H10FNS — CID 171807323

IUPAC4-fluoro-7-propan-2-yl-1,2-benzothiazole
SMILESCC(C)c1ccc(F)c2cnsc12
InChIInChI=1S/C10H10FNS/c1-6(2)7-3-4-9(11)8-5-12-13-10(7)8/h3-6H,1-2H3
InChIKeyKMYNWNYXGUQJSA-UHFFFAOYSA-N
MW195.26 g/mol
LogP3.56
Rot. Bonds1

About 4-fluoro-7-propan-2-yl-1,2-benzothiazole

4-fluoro-7-propan-2-yl-1,2-benzothiazole (PubChem CID 171807323) has the molecular formula C10H10FNS and a molecular weight of 195.26 g/mol. Its IUPAC name is 4-fluoro-7-propan-2-yl-1,2-benzothiazole.

Molecular Properties

Compound Name4-fluoro-7-propan-2-yl-1,2-benzothiazole
PubChem CID171807323
Molecular FormulaC10H10FNS
Molecular Weight195.26 g/mol
Exact Mass195.05
IUPAC Name4-fluoro-7-propan-2-yl-1,2-benzothiazole
SMILESCC(C)c1ccc(F)c2cnsc12
InChIInChI=1S/C10H10FNS/c1-6(2)7-3-4-9(11)8-5-12-13-10(7)8/h3-6H,1-2H3
InChIKeyKMYNWNYXGUQJSA-UHFFFAOYSA-N
XLogP3.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-di(propan-2-yl)-1,2-benzothiazole
CID 118099941
4-ethyl-7-fluoro-1,2-benzothiazole
CID 130064247
ethane;7-fluoro-4-propan-2-yl-1,3-benzothiazole
CID 163391719
1-fluoro-4-propan-2-yl-5,6-didehydronaphthalene
CID 172616698
1,2-difluoro-3-methoxy-4-propan-2-ylbenzene
CID 123427899
7-fluoro-N-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine
CID 170676583
2-fluoro-4-(3-fluoro-4-propan-2-ylphenyl)-1-propan-2-ylbenzene
CID 58823318
3-methyl-7-propan-2-yl-[1,2]thiazolo[4,5-c]pyridine
CID 88983608
(3-fluoro-4-propan-2-ylphenyl)-trimethylsilane
CID 59596566
1-(1,2-benzothiazol-4-yl)ethanol
CID 119087853
N-[(4-fluoro-1,2-benzothiazol-7-yl)methyl]-3-pyridin-2-ylpyridin-2-amine
CID 171807309
7-fluoro-4-propan-2-yl-1-benzothiophene-3-carbonitrile
CID 170767764

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-7-propan-2-yl-1,2-benzothiazole?
The IUPAC name of 4-fluoro-7-propan-2-yl-1,2-benzothiazole (CID 171807323) is 4-fluoro-7-propan-2-yl-1,2-benzothiazole.
What is the SMILES notation for 4-fluoro-7-propan-2-yl-1,2-benzothiazole?
The canonical SMILES for 4-fluoro-7-propan-2-yl-1,2-benzothiazole is CC(C)c1ccc(F)c2cnsc12.
What is the InChIKey of 4-fluoro-7-propan-2-yl-1,2-benzothiazole?
The InChIKey is KMYNWNYXGUQJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNS/c1-6(2)7-3-4-9(11)8-5-12-13-10(7)8/h3-6H,1-2H3.
What are the key properties of 4-fluoro-7-propan-2-yl-1,2-benzothiazole?
4-fluoro-7-propan-2-yl-1,2-benzothiazole has a molecular weight of 195.26 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-7-propan-2-yl-1,2-benzothiazole is sourced from PubChem (CID 171807323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).