5-(3,3-dimethylbutan-2-yl)-2-fluoro-1,3-thiazole

C9H14FNS — CID 59623676

IUPAC5-(3,3-dimethylbutan-2-yl)-2-fluoro-1,3-thiazole
SMILESCC(c1cnc(F)s1)C(C)(C)C
InChIInChI=1S/C9H14FNS/c1-6(9(2,3)4)7-5-11-8(10)12-7/h5-6H,1-4H3
InChIKeyDNBPWRDJHXUSSR-UHFFFAOYSA-N
MW187.28 g/mol
LogP3.43
Rot. Bonds1

About 5-(3,3-dimethylbutan-2-yl)-2-fluoro-1,3-thiazole

5-(3,3-dimethylbutan-2-yl)-2-fluoro-1,3-thiazole (PubChem CID 59623676) has the molecular formula C9H14FNS and a molecular weight of 187.28 g/mol. Its IUPAC name is 5-(3,3-dimethylbutan-2-yl)-2-fluoro-1,3-thiazole.

Molecular Properties

Compound Name5-(3,3-dimethylbutan-2-yl)-2-fluoro-1,3-thiazole
PubChem CID59623676
Molecular FormulaC9H14FNS
Molecular Weight187.28 g/mol
Exact Mass187.08
IUPAC Name5-(3,3-dimethylbutan-2-yl)-2-fluoro-1,3-thiazole
SMILESCC(c1cnc(F)s1)C(C)(C)C
InChIInChI=1S/C9H14FNS/c1-6(9(2,3)4)7-5-11-8(10)12-7/h5-6H,1-4H3
InChIKeyDNBPWRDJHXUSSR-UHFFFAOYSA-N
XLogP3.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(3,3-dimethylbutan-2-yl)-2-fluoro-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylbutan-2-yl)-2-fluoro-1,3-thiazole?
The IUPAC name of 5-(3,3-dimethylbutan-2-yl)-2-fluoro-1,3-thiazole (CID 59623676) is 5-(3,3-dimethylbutan-2-yl)-2-fluoro-1,3-thiazole.
What is the SMILES notation for 5-(3,3-dimethylbutan-2-yl)-2-fluoro-1,3-thiazole?
The canonical SMILES for 5-(3,3-dimethylbutan-2-yl)-2-fluoro-1,3-thiazole is CC(c1cnc(F)s1)C(C)(C)C.
What is the InChIKey of 5-(3,3-dimethylbutan-2-yl)-2-fluoro-1,3-thiazole?
The InChIKey is DNBPWRDJHXUSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNS/c1-6(9(2,3)4)7-5-11-8(10)12-7/h5-6H,1-4H3.
What are the key properties of 5-(3,3-dimethylbutan-2-yl)-2-fluoro-1,3-thiazole?
5-(3,3-dimethylbutan-2-yl)-2-fluoro-1,3-thiazole has a molecular weight of 187.28 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylbutan-2-yl)-2-fluoro-1,3-thiazole is sourced from PubChem (CID 59623676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).