1-[4-(difluoromethoxy)phenyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]tetrazole

C13H12F2N6OS — CID 60558770

IUPAC1-[4-(difluoromethoxy)phenyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]tetrazole
SMILESCn1ccnc1SCc1nnnn1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H12F2N6OS/c1-20-7-6-16-13(20)23-8-11-17-18-19-21(11)9-2-4-10(5-3-9)22-12(14)15/h2-7,12H,8H2,1H3
InChIKeyGEOXSTJGSQIQLD-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.29
Rot. Bonds6

About 1-[4-(difluoromethoxy)phenyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]tetrazole

1-[4-(difluoromethoxy)phenyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]tetrazole (PubChem CID 60558770) has the molecular formula C13H12F2N6OS and a molecular weight of 338.34 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]tetrazole.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]tetrazole
PubChem CID60558770
Molecular FormulaC13H12F2N6OS
Molecular Weight338.34 g/mol
Exact Mass338.08
IUPAC Name1-[4-(difluoromethoxy)phenyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]tetrazole
SMILESCn1ccnc1SCc1nnnn1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C13H12F2N6OS/c1-20-7-6-16-13(20)23-8-11-17-18-19-21(11)9-2-4-10(5-3-9)22-12(14)15/h2-7,12H,8H2,1H3
InChIKeyGEOXSTJGSQIQLD-UHFFFAOYSA-N
XLogP2.29
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[4-(difluoromethoxy)phenyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]tetrazole 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-[4-(difluoromethoxy)phenyl]-5-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]tetrazole
CID 55988803
1-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120870103
4-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine
CID 52727162
1-[4-(difluoromethoxy)phenyl]-5-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]tetrazole
CID 55989050
5-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-[4-(difluoromethoxy)phenyl]tetrazole
CID 60558977
2-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methylsulfanyl]-3-(furan-2-ylmethyl)quinazolin-4-one
CID 60558511
N-[[4-(difluoromethoxy)phenyl]methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 35412214
1-[4-(difluoromethoxy)phenyl]-5-[(3-iodophenoxy)methyl]tetrazole
CID 55988919
5-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-1-phenyltetrazole
CID 18131089
5,6-dichloro-2-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methyl]isoindole-1,3-dione
CID 55989826
5-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1-(3,4-dimethylphenyl)tetrazole
CID 17413738
1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011486

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]tetrazole?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]tetrazole (CID 60558770) is 1-[4-(difluoromethoxy)phenyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]tetrazole.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]tetrazole?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]tetrazole is Cn1ccnc1SCc1nnnn1-c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]tetrazole?
The InChIKey is GEOXSTJGSQIQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N6OS/c1-20-7-6-16-13(20)23-8-11-17-18-19-21(11)9-2-4-10(5-3-9)22-12(14)15/h2-7,12H,8H2,1H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]tetrazole?
1-[4-(difluoromethoxy)phenyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]tetrazole has a molecular weight of 338.34 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]tetrazole is sourced from PubChem (CID 60558770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).