4-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole

C16H15FN4OS2 — CID 16605296

IUPAC4-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole
SMILESFc1ccc(OCc2nc(CSc3nncn3C3CC3)cs2)cc1
InChIInChI=1S/C16H15FN4OS2/c17-11-1-5-14(6-2-11)22-7-15-19-12(8-23-15)9-24-16-20-18-10-21(16)13-3-4-13/h1-2,5-6,8,10,13H,3-4,7,9H2
InChIKeyMBDDVHILTNUDGA-UHFFFAOYSA-N
MW362.46 g/mol
LogP4.08
Rot. Bonds7

About 4-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole

4-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole (PubChem CID 16605296) has the molecular formula C16H15FN4OS2 and a molecular weight of 362.46 g/mol. Its IUPAC name is 4-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole
PubChem CID16605296
Molecular FormulaC16H15FN4OS2
Molecular Weight362.46 g/mol
Exact Mass362.07
IUPAC Name4-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole
SMILESFc1ccc(OCc2nc(CSc3nncn3C3CC3)cs2)cc1
InChIInChI=1S/C16H15FN4OS2/c17-11-1-5-14(6-2-11)22-7-15-19-12(8-23-15)9-24-16-20-18-10-21(16)13-3-4-13/h1-2,5-6,8,10,13H,3-4,7,9H2
InChIKeyMBDDVHILTNUDGA-UHFFFAOYSA-N
XLogP4.08
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole with MolForge

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Related Compounds

2-[(4-fluorophenoxy)methyl]-4-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole
CID 18099156
4-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(phenoxymethyl)-1,3-thiazole
CID 55988018
4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde
CID 52554108
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 56560605
3-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-4-amine
CID 24596588
2-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-4-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole
CID 2743925
4-cyclopropyl-3-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylsulfanyl]-1,2,4-triazole
CID 51083350
N-[[4-[(4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 55076744
[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
CID 9062754
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 18276480
2-[cyclopropyl-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]amino]ethanol
CID 60510275
2-[(4-methylphenoxy)methyl]-4-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole
CID 55491277

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole?
The IUPAC name of 4-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole (CID 16605296) is 4-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 4-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole?
The canonical SMILES for 4-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole is Fc1ccc(OCc2nc(CSc3nncn3C3CC3)cs2)cc1.
What is the InChIKey of 4-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole?
The InChIKey is MBDDVHILTNUDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4OS2/c17-11-1-5-14(6-2-11)22-7-15-19-12(8-23-15)9-24-16-20-18-10-21(16)13-3-4-13/h1-2,5-6,8,10,13H,3-4,7,9H2.
What are the key properties of 4-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole?
4-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole has a molecular weight of 362.46 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 16605296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).