4-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-thiazole

C20H19N5S2 — CID 26643672

IUPAC4-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2nc(CSc3nnnn3-c3cccc(C)c3C)cs2)cc1
InChIInChI=1S/C20H19N5S2/c1-13-7-9-16(10-8-13)19-21-17(11-26-19)12-27-20-22-23-24-25(20)18-6-4-5-14(2)15(18)3/h4-11H,12H2,1-3H3
InChIKeyNXUYDUJYHZIGAO-UHFFFAOYSA-N
MW393.54 g/mol
LogP5.00
Rot. Bonds5

About 4-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-thiazole

4-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-thiazole (PubChem CID 26643672) has the molecular formula C20H19N5S2 and a molecular weight of 393.54 g/mol. Its IUPAC name is 4-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-thiazole
PubChem CID26643672
Molecular FormulaC20H19N5S2
Molecular Weight393.54 g/mol
Exact Mass393.11
IUPAC Name4-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2nc(CSc3nnnn3-c3cccc(C)c3C)cs2)cc1
InChIInChI=1S/C20H19N5S2/c1-13-7-9-16(10-8-13)19-21-17(11-26-19)12-27-20-22-23-24-25(20)18-6-4-5-14(2)15(18)3/h4-11H,12H2,1-3H3
InChIKeyNXUYDUJYHZIGAO-UHFFFAOYSA-N
XLogP5.00
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.54
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 7674118
4-[[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(3-methoxyphenyl)-1,3-thiazole
CID 7878128
4-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 16554841
3-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-5-methyl-1,2-oxazole
CID 27025355
2-(4-chlorophenyl)-4-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
CID 27159911
4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(furan-2-yl)-1,3-thiazole
CID 31398044
6-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 86907437
2-(2-methoxyphenyl)-4-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
CID 51140145
4-[[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 9330004
5-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole
CID 8798469
[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl-trimethylsilane
CID 56529201
2-(5-methylfuran-2-yl)-4-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
CID 39530014

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-thiazole?
The IUPAC name of 4-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-thiazole (CID 26643672) is 4-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-thiazole?
The canonical SMILES for 4-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-thiazole is Cc1ccc(-c2nc(CSc3nnnn3-c3cccc(C)c3C)cs2)cc1.
What is the InChIKey of 4-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-thiazole?
The InChIKey is NXUYDUJYHZIGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5S2/c1-13-7-9-16(10-8-13)19-21-17(11-26-19)12-27-20-22-23-24-25(20)18-6-4-5-14(2)15(18)3/h4-11H,12H2,1-3H3.
What are the key properties of 4-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-thiazole?
4-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-thiazole has a molecular weight of 393.54 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 26643672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).