2-[(4-fluorophenoxy)methyl]-4-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole

C15H16FN5OS2 — CID 18099156

IUPAC2-[(4-fluorophenoxy)methyl]-4-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole
SMILESCC(C)n1nnnc1SCc1csc(COc2ccc(F)cc2)n1
InChIInChI=1S/C15H16FN5OS2/c1-10(2)21-15(18-19-20-21)24-9-12-8-23-14(17-12)7-22-13-5-3-11(16)4-6-13/h3-6,8,10H,7,9H2,1-2H3
InChIKeyQNELILAZYCBFNX-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.72
Rot. Bonds7

About 2-[(4-fluorophenoxy)methyl]-4-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole

2-[(4-fluorophenoxy)methyl]-4-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole (PubChem CID 18099156) has the molecular formula C15H16FN5OS2 and a molecular weight of 365.46 g/mol. Its IUPAC name is 2-[(4-fluorophenoxy)methyl]-4-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(4-fluorophenoxy)methyl]-4-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole
PubChem CID18099156
Molecular FormulaC15H16FN5OS2
Molecular Weight365.46 g/mol
Exact Mass365.08
IUPAC Name2-[(4-fluorophenoxy)methyl]-4-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole
SMILESCC(C)n1nnnc1SCc1csc(COc2ccc(F)cc2)n1
InChIInChI=1S/C15H16FN5OS2/c1-10(2)21-15(18-19-20-21)24-9-12-8-23-14(17-12)7-22-13-5-3-11(16)4-6-13/h3-6,8,10H,7,9H2,1-2H3
InChIKeyQNELILAZYCBFNX-UHFFFAOYSA-N
XLogP3.72
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[(4-fluorophenoxy)methyl]-4-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-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

Related Compounds

4-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole
CID 16605296
4-[(1-benzyltetrazol-5-yl)sulfanylmethyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole
CID 52545195
3-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-[(2-fluorophenoxy)methyl]-1,2,4-triazol-4-amine
CID 24596588
(2S)-N-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95277787
2-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-1-propylbenzimidazole-5-sulfonamide
CID 16567256
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-[(4-tert-butylphenyl)sulfanylmethyl]-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole
CID 46083414
2-[(4-chlorophenoxy)methyl]-4-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole
CID 24592919
2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2-methyl-1-phenylpropyl)acetamide
CID 18145151
4-[(4-fluorophenoxy)methyl]-2-propyl-1,3-thiazole
CID 60773447
4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde
CID 52554108
5-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 16594198

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenoxy)methyl]-4-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole?
The IUPAC name of 2-[(4-fluorophenoxy)methyl]-4-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole (CID 18099156) is 2-[(4-fluorophenoxy)methyl]-4-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole.
What is the SMILES notation for 2-[(4-fluorophenoxy)methyl]-4-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole?
The canonical SMILES for 2-[(4-fluorophenoxy)methyl]-4-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole is CC(C)n1nnnc1SCc1csc(COc2ccc(F)cc2)n1.
What is the InChIKey of 2-[(4-fluorophenoxy)methyl]-4-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole?
The InChIKey is QNELILAZYCBFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5OS2/c1-10(2)21-15(18-19-20-21)24-9-12-8-23-14(17-12)7-22-13-5-3-11(16)4-6-13/h3-6,8,10H,7,9H2,1-2H3.
What are the key properties of 2-[(4-fluorophenoxy)methyl]-4-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole?
2-[(4-fluorophenoxy)methyl]-4-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole has a molecular weight of 365.46 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenoxy)methyl]-4-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole is sourced from PubChem (CID 18099156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).