[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]phenyl]-pentafluoro-λ6-sulfane

C13H12F5NS2 — CID 170294315

IUPAC[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]phenyl]-pentafluoro-λ6-sulfane
SMILESFS(F)(F)(F)(F)c1ccc(Cc2nc(C3CC3)cs2)cc1
InChIInChI=1S/C13H12F5NS2/c14-21(15,16,17,18)11-5-1-9(2-6-11)7-13-19-12(8-20-13)10-3-4-10/h1-2,5-6,8,10H,3-4,7H2
InChIKeyXEJGLZHXBHNONL-UHFFFAOYSA-N
MW341.37 g/mol
LogP6.27
Rot. Bonds4

About [4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]phenyl]-pentafluoro-λ6-sulfane

[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]phenyl]-pentafluoro-λ6-sulfane (PubChem CID 170294315) has the molecular formula C13H12F5NS2 and a molecular weight of 341.37 g/mol. Its IUPAC name is [4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]phenyl]-pentafluoro-λ6-sulfane.

Molecular Properties

Compound Name[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]phenyl]-pentafluoro-λ6-sulfane
PubChem CID170294315
Molecular FormulaC13H12F5NS2
Molecular Weight341.37 g/mol
Exact Mass341.03
IUPAC Name[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]phenyl]-pentafluoro-λ6-sulfane
SMILESFS(F)(F)(F)(F)c1ccc(Cc2nc(C3CC3)cs2)cc1
InChIInChI=1S/C13H12F5NS2/c14-21(15,16,17,18)11-5-1-9(2-6-11)7-13-19-12(8-20-13)10-3-4-10/h1-2,5-6,8,10H,3-4,7H2
InChIKeyXEJGLZHXBHNONL-UHFFFAOYSA-N
XLogP6.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.37
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]phenyl]-pentafluoro-λ6-sulfane with MolForge

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Related Compounds

4-[[4-(4-butylcyclohexyl)-1,3-thiazol-2-yl]methyl]aniline
CID 83526081
4-cyclopropyl-2-[(2-fluorophenyl)methyl]-1,3-thiazole
CID 112691564
3-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]-N-methylaniline
CID 116968523
2-(bromomethyl)-4-cyclopentyl-1,3-thiazole
CID 116970375
2-(2-chloroethyl)-4-cyclobutyl-1,3-thiazole
CID 116965575
4-[[(4-cyclopropyl-1,3-thiazol-2-yl)methylamino]methyl]benzoic acid
CID 122032054
2-(azetidin-3-ylmethyl)-4-cyclopropyl-1,3-thiazole
CID 105448612
4-cyclohexyl-2-propyl-1,3-thiazole
CID 130157916
2-(4-cyclobutyl-1,3-thiazol-2-yl)acetonitrile
CID 116966310
[(2R)-2-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]methanol
CID 174594310
2-(pyridin-4-ylmethyl)-4-pyrrolidin-2-yl-1,3-thiazole
CID 114456781
1-(4-cyclopentyl-1,3-thiazol-2-yl)-N,2-dimethylpropan-2-amine
CID 116968800

Frequently Asked Questions

What is the IUPAC name of [4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]phenyl]-pentafluoro-λ6-sulfane?
The IUPAC name of [4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]phenyl]-pentafluoro-λ6-sulfane (CID 170294315) is [4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]phenyl]-pentafluoro-λ6-sulfane.
What is the SMILES notation for [4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]phenyl]-pentafluoro-λ6-sulfane?
The canonical SMILES for [4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]phenyl]-pentafluoro-λ6-sulfane is FS(F)(F)(F)(F)c1ccc(Cc2nc(C3CC3)cs2)cc1.
What is the InChIKey of [4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]phenyl]-pentafluoro-λ6-sulfane?
The InChIKey is XEJGLZHXBHNONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F5NS2/c14-21(15,16,17,18)11-5-1-9(2-6-11)7-13-19-12(8-20-13)10-3-4-10/h1-2,5-6,8,10H,3-4,7H2.
What are the key properties of [4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]phenyl]-pentafluoro-λ6-sulfane?
[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]phenyl]-pentafluoro-λ6-sulfane has a molecular weight of 341.37 g/mol, XLogP of 6.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]phenyl]-pentafluoro-λ6-sulfane is sourced from PubChem (CID 170294315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).