5-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-1-(2,6-dimethylphenyl)tetrazole

C14H15ClN6S — CID 27024989

IUPAC5-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-1-(2,6-dimethylphenyl)tetrazole
SMILESCc1cccc(C)c1-n1nnnc1SCc1ncc(Cl)n1C
InChIInChI=1S/C14H15ClN6S/c1-9-5-4-6-10(2)13(9)21-14(17-18-19-21)22-8-12-16-7-11(15)20(12)3/h4-7H,8H2,1-3H3
InChIKeySECPKJZHSYARTG-UHFFFAOYSA-N
MW334.84 g/mol
LogP2.96
Rot. Bonds4

About 5-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-1-(2,6-dimethylphenyl)tetrazole

5-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-1-(2,6-dimethylphenyl)tetrazole (PubChem CID 27024989) has the molecular formula C14H15ClN6S and a molecular weight of 334.84 g/mol. Its IUPAC name is 5-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-1-(2,6-dimethylphenyl)tetrazole.

Molecular Properties

Compound Name5-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-1-(2,6-dimethylphenyl)tetrazole
PubChem CID27024989
Molecular FormulaC14H15ClN6S
Molecular Weight334.84 g/mol
Exact Mass334.08
IUPAC Name5-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-1-(2,6-dimethylphenyl)tetrazole
SMILESCc1cccc(C)c1-n1nnnc1SCc1ncc(Cl)n1C
InChIInChI=1S/C14H15ClN6S/c1-9-5-4-6-10(2)13(9)21-14(17-18-19-21)22-8-12-16-7-11(15)20(12)3/h4-7H,8H2,1-3H3
InChIKeySECPKJZHSYARTG-UHFFFAOYSA-N
XLogP2.96
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.84
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(3-chloroprop-2-enylsulfanyl)-1-(2,6-dimethylphenyl)tetrazole
CID 78797821
5-chloro-4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]thiadiazole
CID 29249830
5-[(4-bromophenyl)methylsulfanyl]-1-(2,6-dimethylphenyl)tetrazole
CID 598194
5-butylsulfanyl-1-(2,6-dimethylphenyl)tetrazole
CID 78814972
1-(2,6-dimethylphenyl)-5-methylsulfanyltetrazole
CID 576491
3-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylpropan-1-ol
CID 110878049
4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(furan-2-yl)-1,3-thiazole
CID 31398044
1-(2,6-dimethylphenyl)-5-[2-(2-fluorophenyl)sulfanylethylsulfanyl]tetrazole
CID 7532915
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-2-[(4-chlorophenyl)sulfanylmethyl]-1-methylimidazole
CID 86908683

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-1-(2,6-dimethylphenyl)tetrazole?
The IUPAC name of 5-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-1-(2,6-dimethylphenyl)tetrazole (CID 27024989) is 5-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-1-(2,6-dimethylphenyl)tetrazole.
What is the SMILES notation for 5-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-1-(2,6-dimethylphenyl)tetrazole?
The canonical SMILES for 5-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-1-(2,6-dimethylphenyl)tetrazole is Cc1cccc(C)c1-n1nnnc1SCc1ncc(Cl)n1C.
What is the InChIKey of 5-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-1-(2,6-dimethylphenyl)tetrazole?
The InChIKey is SECPKJZHSYARTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN6S/c1-9-5-4-6-10(2)13(9)21-14(17-18-19-21)22-8-12-16-7-11(15)20(12)3/h4-7H,8H2,1-3H3.
What are the key properties of 5-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-1-(2,6-dimethylphenyl)tetrazole?
5-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-1-(2,6-dimethylphenyl)tetrazole has a molecular weight of 334.84 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-1-(2,6-dimethylphenyl)tetrazole is sourced from PubChem (CID 27024989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).