4-(1-fluoro-2,2-dimethylpropyl)-2-thiophen-2-yl-1,3-thiazole

C12H14FNS2 — CID 58852697

IUPAC4-(1-fluoro-2,2-dimethylpropyl)-2-thiophen-2-yl-1,3-thiazole
SMILESCC(C)(C)C(F)c1csc(-c2cccs2)n1
InChIInChI=1S/C12H14FNS2/c1-12(2,3)10(13)8-7-16-11(14-8)9-5-4-6-15-9/h4-7,10H,1-3H3
InChIKeyXQWSWTPKHMQQHL-UHFFFAOYSA-N
MW255.38 g/mol
LogP4.93
Rot. Bonds2

About 4-(1-fluoro-2,2-dimethylpropyl)-2-thiophen-2-yl-1,3-thiazole

4-(1-fluoro-2,2-dimethylpropyl)-2-thiophen-2-yl-1,3-thiazole (PubChem CID 58852697) has the molecular formula C12H14FNS2 and a molecular weight of 255.38 g/mol. Its IUPAC name is 4-(1-fluoro-2,2-dimethylpropyl)-2-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(1-fluoro-2,2-dimethylpropyl)-2-thiophen-2-yl-1,3-thiazole
PubChem CID58852697
Molecular FormulaC12H14FNS2
Molecular Weight255.38 g/mol
Exact Mass255.06
IUPAC Name4-(1-fluoro-2,2-dimethylpropyl)-2-thiophen-2-yl-1,3-thiazole
SMILESCC(C)(C)C(F)c1csc(-c2cccs2)n1
InChIInChI=1S/C12H14FNS2/c1-12(2,3)10(13)8-7-16-11(14-8)9-5-4-6-15-9/h4-7,10H,1-3H3
InChIKeyXQWSWTPKHMQQHL-UHFFFAOYSA-N
XLogP4.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propan-1-ol
CID 115089100
(1R)-2-(4-methylphenyl)-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanamine
CID 118371345
3-(2-thiophen-2-yl-1,3-thiazol-4-yl)butanoic acid
CID 116889223
2-[fluoro-(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]sulfonyl-1,3-benzothiazole
CID 86242081
2-methyl-4-(2-thiophen-2-yl-1,3-thiazol-4-yl)butan-2-amine
CID 116888514
[(2S)-1,1,1-trifluoropropan-2-yl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
CID 95783677
N-methyl-2-(4-nitrophenyl)-1-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanamine
CID 77326965
methyl 2-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoate
CID 116890129
3-methyl-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]butan-2-ol
CID 111421916
N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butan-2-amine
CID 82515815
2-methyl-3-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoic acid
CID 116889272
N-[(2-methylpropan-2-yl)oxy]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 82723620

Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoro-2,2-dimethylpropyl)-2-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 4-(1-fluoro-2,2-dimethylpropyl)-2-thiophen-2-yl-1,3-thiazole (CID 58852697) is 4-(1-fluoro-2,2-dimethylpropyl)-2-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 4-(1-fluoro-2,2-dimethylpropyl)-2-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 4-(1-fluoro-2,2-dimethylpropyl)-2-thiophen-2-yl-1,3-thiazole is CC(C)(C)C(F)c1csc(-c2cccs2)n1.
What is the InChIKey of 4-(1-fluoro-2,2-dimethylpropyl)-2-thiophen-2-yl-1,3-thiazole?
The InChIKey is XQWSWTPKHMQQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNS2/c1-12(2,3)10(13)8-7-16-11(14-8)9-5-4-6-15-9/h4-7,10H,1-3H3.
What are the key properties of 4-(1-fluoro-2,2-dimethylpropyl)-2-thiophen-2-yl-1,3-thiazole?
4-(1-fluoro-2,2-dimethylpropyl)-2-thiophen-2-yl-1,3-thiazole has a molecular weight of 255.38 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoro-2,2-dimethylpropyl)-2-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 58852697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).