5-chloro-4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]thiadiazole

C12H11ClN6S2 — CID 29249830

IUPAC5-chloro-4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]thiadiazole
SMILESCc1cccc(C)c1-n1nnnc1SCc1nnsc1Cl
InChIInChI=1S/C12H11ClN6S2/c1-7-4-3-5-8(2)10(7)19-12(15-16-17-19)20-6-9-11(13)21-18-14-9/h3-5H,6H2,1-2H3
InChIKeyQOAMXALYOMEWOT-UHFFFAOYSA-N
MW338.85 g/mol
LogP3.08
Rot. Bonds4

About 5-chloro-4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]thiadiazole

5-chloro-4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]thiadiazole (PubChem CID 29249830) has the molecular formula C12H11ClN6S2 and a molecular weight of 338.85 g/mol. Its IUPAC name is 5-chloro-4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]thiadiazole
PubChem CID29249830
Molecular FormulaC12H11ClN6S2
Molecular Weight338.85 g/mol
Exact Mass338.02
IUPAC Name5-chloro-4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]thiadiazole
SMILESCc1cccc(C)c1-n1nnnc1SCc1nnsc1Cl
InChIInChI=1S/C12H11ClN6S2/c1-7-4-3-5-8(2)10(7)19-12(15-16-17-19)20-6-9-11(13)21-18-14-9/h3-5H,6H2,1-2H3
InChIKeyQOAMXALYOMEWOT-UHFFFAOYSA-N
XLogP3.08
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.85
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-chloro-4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]thiadiazole 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-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-1-(2,6-dimethylphenyl)tetrazole
CID 27024989
5-[(4-bromophenyl)methylsulfanyl]-1-(2,6-dimethylphenyl)tetrazole
CID 598194
5-(3-chloroprop-2-enylsulfanyl)-1-(2,6-dimethylphenyl)tetrazole
CID 78797821
5-butylsulfanyl-1-(2,6-dimethylphenyl)tetrazole
CID 78814972
5-chloro-4-[[1-(2-methylpropyl)tetrazol-5-yl]sulfanylmethyl]thiadiazole
CID 47126462
1-(2,6-dimethylphenyl)-5-methylsulfanyltetrazole
CID 576491
3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylpropan-1-ol
CID 110878049
2-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 8916555
methyl 5-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]furan-2-carboxylate
CID 7660937
4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole
CID 24666094
1-(2,6-dimethylphenyl)-5-[(3-nitrophenyl)methylsulfanyl]tetrazole
CID 26650110
5-chloro-4-[(4-methylphenyl)sulfanylmethyl]thiadiazole
CID 43407842

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]thiadiazole?
The IUPAC name of 5-chloro-4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]thiadiazole (CID 29249830) is 5-chloro-4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]thiadiazole is Cc1cccc(C)c1-n1nnnc1SCc1nnsc1Cl.
What is the InChIKey of 5-chloro-4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]thiadiazole?
The InChIKey is QOAMXALYOMEWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN6S2/c1-7-4-3-5-8(2)10(7)19-12(15-16-17-19)20-6-9-11(13)21-18-14-9/h3-5H,6H2,1-2H3.
What are the key properties of 5-chloro-4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]thiadiazole?
5-chloro-4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]thiadiazole has a molecular weight of 338.85 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]thiadiazole is sourced from PubChem (CID 29249830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).