5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-cyclopropyltetrazole

C11H10BrFN4S — CID 47124353

IUPAC5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-cyclopropyltetrazole
SMILESFc1cc(Br)ccc1CSc1nnnn1C1CC1
InChIInChI=1S/C11H10BrFN4S/c12-8-2-1-7(10(13)5-8)6-18-11-14-15-16-17(11)9-3-4-9/h1-2,5,9H,3-4,6H2
InChIKeyYOWKLPBJLCBRKA-UHFFFAOYSA-N
MW329.20 g/mol
LogP3.20
Rot. Bonds4

About 5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-cyclopropyltetrazole

5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-cyclopropyltetrazole (PubChem CID 47124353) has the molecular formula C11H10BrFN4S and a molecular weight of 329.20 g/mol. Its IUPAC name is 5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-cyclopropyltetrazole.

Molecular Properties

Compound Name5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-cyclopropyltetrazole
PubChem CID47124353
Molecular FormulaC11H10BrFN4S
Molecular Weight329.20 g/mol
Exact Mass327.98
IUPAC Name5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-cyclopropyltetrazole
SMILESFc1cc(Br)ccc1CSc1nnnn1C1CC1
InChIInChI=1S/C11H10BrFN4S/c12-8-2-1-7(10(13)5-8)6-18-11-14-15-16-17(11)9-3-4-9/h1-2,5,9H,3-4,6H2
InChIKeyYOWKLPBJLCBRKA-UHFFFAOYSA-N
XLogP3.20
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-cyclopropyltetrazole 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

2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-4-fluoroaniline
CID 43382263
5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-(3-fluorophenyl)tetrazole
CID 7562922
3-[(4-bromo-2-fluorophenyl)methylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one
CID 47115831
5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 7646433
3-bromo-4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]benzohydrazide
CID 102774921
3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine
CID 62468379
2-[4-bromo-2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]benzoyl]-3-chlorocyclohex-2-en-1-one
CID 23502593
5-[(3-bromo-2,6-difluorophenyl)methylsulfanyl]-1-cyclopentyltetrazole
CID 106270154
3-(3-bromophenyl)-5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 9465562
3-[(4-bromo-2-fluorophenyl)methylsulfanyl]-5-cyclopropyl-4-ethyl-1,2,4-triazole
CID 47115164
1-[4-bromo-2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]propan-2-amine
CID 63818433
3-chloro-4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]benzoic acid
CID 102670281

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-cyclopropyltetrazole?
The IUPAC name of 5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-cyclopropyltetrazole (CID 47124353) is 5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-cyclopropyltetrazole.
What is the SMILES notation for 5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-cyclopropyltetrazole?
The canonical SMILES for 5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-cyclopropyltetrazole is Fc1cc(Br)ccc1CSc1nnnn1C1CC1.
What is the InChIKey of 5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-cyclopropyltetrazole?
The InChIKey is YOWKLPBJLCBRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN4S/c12-8-2-1-7(10(13)5-8)6-18-11-14-15-16-17(11)9-3-4-9/h1-2,5,9H,3-4,6H2.
What are the key properties of 5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-cyclopropyltetrazole?
5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-cyclopropyltetrazole has a molecular weight of 329.20 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-cyclopropyltetrazole is sourced from PubChem (CID 47124353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).