5-fluoro-2-(1-methyltetrazol-5-yl)sulfanyl-4-propan-2-yloxyaniline

C11H14FN5OS — CID 63592140

IUPAC5-fluoro-2-(1-methyltetrazol-5-yl)sulfanyl-4-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(Sc2nnnn2C)c(N)cc1F
InChIInChI=1S/C11H14FN5OS/c1-6(2)18-9-5-10(8(13)4-7(9)12)19-11-14-15-16-17(11)3/h4-6H,13H2,1-3H3
InChIKeyCPUBZTOIQBNVGG-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.87
Rot. Bonds4

About 5-fluoro-2-(1-methyltetrazol-5-yl)sulfanyl-4-propan-2-yloxyaniline

5-fluoro-2-(1-methyltetrazol-5-yl)sulfanyl-4-propan-2-yloxyaniline (PubChem CID 63592140) has the molecular formula C11H14FN5OS and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-fluoro-2-(1-methyltetrazol-5-yl)sulfanyl-4-propan-2-yloxyaniline.

Molecular Properties

Compound Name5-fluoro-2-(1-methyltetrazol-5-yl)sulfanyl-4-propan-2-yloxyaniline
PubChem CID63592140
Molecular FormulaC11H14FN5OS
Molecular Weight283.33 g/mol
Exact Mass283.09
IUPAC Name5-fluoro-2-(1-methyltetrazol-5-yl)sulfanyl-4-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(Sc2nnnn2C)c(N)cc1F
InChIInChI=1S/C11H14FN5OS/c1-6(2)18-9-5-10(8(13)4-7(9)12)19-11-14-15-16-17(11)3/h4-6H,13H2,1-3H3
InChIKeyCPUBZTOIQBNVGG-UHFFFAOYSA-N
XLogP1.87
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-fluoro-2-(1-methyltetrazol-5-yl)sulfanyl-4-propan-2-yloxyaniline 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

5-Fluoro-4-methoxy-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]aniline
CID 55216855
2-[(4,5-Dimethyl-1,2,4-triazol-3-yl)sulfanyl]-5-fluoro-4-methoxyaniline
CID 55217625
2-[(4,5-Dimethyl-1,2,4-triazol-3-yl)sulfanyl]-4-ethoxy-5-fluoroaniline
CID 55217632
4-(difluoromethoxy)-5-fluoro-2-(1H-1,2,4-triazol-5-ylsulfanyl)aniline
CID 55217833
5-Fluoro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-propan-2-yloxyaniline
CID 55217835
5-(2-amino-4-fluoro-5-methoxyphenyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 55229364
5-Fluoro-2-(1-methyltetrazol-5-yl)sulfanyl-4-propoxyaniline
CID 63592139
4-Ethoxy-5-fluoro-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]aniline
CID 63592192
2-(1-Cyclopropyltetrazol-5-yl)sulfanyl-4-ethoxy-5-fluoroaniline
CID 63592193
4-Ethoxy-5-fluoro-2-(1-methyltetrazol-5-yl)sulfanylaniline
CID 63594146
4-(Difluoromethoxy)-5-fluoro-2-(1-methyltetrazol-5-yl)sulfanylaniline
CID 63594236
5-fluoro-4-propoxy-2-(1H-1,2,4-triazol-5-ylsulfanyl)aniline
CID 63594239

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1-methyltetrazol-5-yl)sulfanyl-4-propan-2-yloxyaniline?
The IUPAC name of 5-fluoro-2-(1-methyltetrazol-5-yl)sulfanyl-4-propan-2-yloxyaniline (CID 63592140) is 5-fluoro-2-(1-methyltetrazol-5-yl)sulfanyl-4-propan-2-yloxyaniline.
What is the SMILES notation for 5-fluoro-2-(1-methyltetrazol-5-yl)sulfanyl-4-propan-2-yloxyaniline?
The canonical SMILES for 5-fluoro-2-(1-methyltetrazol-5-yl)sulfanyl-4-propan-2-yloxyaniline is CC(C)Oc1cc(Sc2nnnn2C)c(N)cc1F.
What is the InChIKey of 5-fluoro-2-(1-methyltetrazol-5-yl)sulfanyl-4-propan-2-yloxyaniline?
The InChIKey is CPUBZTOIQBNVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5OS/c1-6(2)18-9-5-10(8(13)4-7(9)12)19-11-14-15-16-17(11)3/h4-6H,13H2,1-3H3.
What are the key properties of 5-fluoro-2-(1-methyltetrazol-5-yl)sulfanyl-4-propan-2-yloxyaniline?
5-fluoro-2-(1-methyltetrazol-5-yl)sulfanyl-4-propan-2-yloxyaniline has a molecular weight of 283.33 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1-methyltetrazol-5-yl)sulfanyl-4-propan-2-yloxyaniline is sourced from PubChem (CID 63592140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).