1-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-thiophen-2-yltetrazol-5-one

C16H12FN5O2S2 — CID 46516980

IUPAC1-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-thiophen-2-yltetrazol-5-one
SMILESO=c1n(Cc2csc(COc3ccc(F)cc3)n2)nnn1-c1cccs1
InChIInChI=1S/C16H12FN5O2S2/c17-11-3-5-13(6-4-11)24-9-14-18-12(10-26-14)8-21-16(23)22(20-19-21)15-2-1-7-25-15/h1-7,10H,8-9H2
InChIKeyAZGKNSWMORWNMZ-UHFFFAOYSA-N
MW389.44 g/mol
LogP2.71
Rot. Bonds6

About 1-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-thiophen-2-yltetrazol-5-one

1-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-thiophen-2-yltetrazol-5-one (PubChem CID 46516980) has the molecular formula C16H12FN5O2S2 and a molecular weight of 389.44 g/mol. Its IUPAC name is 1-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-thiophen-2-yltetrazol-5-one.

Molecular Properties

Compound Name1-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-thiophen-2-yltetrazol-5-one
PubChem CID46516980
Molecular FormulaC16H12FN5O2S2
Molecular Weight389.44 g/mol
Exact Mass389.04
IUPAC Name1-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-thiophen-2-yltetrazol-5-one
SMILESO=c1n(Cc2csc(COc3ccc(F)cc3)n2)nnn1-c1cccs1
InChIInChI=1S/C16H12FN5O2S2/c17-11-3-5-13(6-4-11)24-9-14-18-12(10-26-14)8-21-16(23)22(20-19-21)15-2-1-7-25-15/h1-7,10H,8-9H2
InChIKeyAZGKNSWMORWNMZ-UHFFFAOYSA-N
XLogP2.71
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-thiophen-2-yltetrazol-5-one 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

1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-thiophen-2-yltetrazol-5-one
CID 31781728
3-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 16624139
4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde
CID 52554108
N-(4-fluorophenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 8006706
4,5-dichloro-2-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]pyridazin-3-one
CID 51111624
4-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole
CID 18154709
2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(3-methyl-1,3-thiazol-2-ylidene)acetamide
CID 24617738
4-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole
CID 112798687
[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 2-(2-fluorophenyl)acetate
CID 55422373
2-[(4-fluorophenoxy)methyl]-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120754970
4-[(4-fluorophenoxy)methyl]-2-propyl-1,3-thiazole
CID 60773447
2-[(4-fluorophenoxy)methyl]-4-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole
CID 18099156

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-thiophen-2-yltetrazol-5-one?
The IUPAC name of 1-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-thiophen-2-yltetrazol-5-one (CID 46516980) is 1-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-thiophen-2-yltetrazol-5-one.
What is the SMILES notation for 1-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-thiophen-2-yltetrazol-5-one?
The canonical SMILES for 1-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-thiophen-2-yltetrazol-5-one is O=c1n(Cc2csc(COc3ccc(F)cc3)n2)nnn1-c1cccs1.
What is the InChIKey of 1-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-thiophen-2-yltetrazol-5-one?
The InChIKey is AZGKNSWMORWNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5O2S2/c17-11-3-5-13(6-4-11)24-9-14-18-12(10-26-14)8-21-16(23)22(20-19-21)15-2-1-7-25-15/h1-7,10H,8-9H2.
What are the key properties of 1-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-thiophen-2-yltetrazol-5-one?
1-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-thiophen-2-yltetrazol-5-one has a molecular weight of 389.44 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-thiophen-2-yltetrazol-5-one is sourced from PubChem (CID 46516980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).