4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(furan-2-yl)-1,3-thiazole

C17H15N5OS2 — CID 31398044

IUPAC4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(furan-2-yl)-1,3-thiazole
SMILESCc1cccc(C)c1-n1nnnc1SCc1csc(-c2ccco2)n1
InChIInChI=1S/C17H15N5OS2/c1-11-5-3-6-12(2)15(11)22-17(19-20-21-22)25-10-13-9-24-16(18-13)14-7-4-8-23-14/h3-9H,10H2,1-2H3
InChIKeyGYQMUARWYMQWGG-UHFFFAOYSA-N
MW369.48 g/mol
LogP4.29
Rot. Bonds5

About 4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(furan-2-yl)-1,3-thiazole

4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(furan-2-yl)-1,3-thiazole (PubChem CID 31398044) has the molecular formula C17H15N5OS2 and a molecular weight of 369.48 g/mol. Its IUPAC name is 4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(furan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(furan-2-yl)-1,3-thiazole
PubChem CID31398044
Molecular FormulaC17H15N5OS2
Molecular Weight369.48 g/mol
Exact Mass369.07
IUPAC Name4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(furan-2-yl)-1,3-thiazole
SMILESCc1cccc(C)c1-n1nnnc1SCc1csc(-c2ccco2)n1
InChIInChI=1S/C17H15N5OS2/c1-11-5-3-6-12(2)15(11)22-17(19-20-21-22)25-10-13-9-24-16(18-13)14-7-4-8-23-14/h3-9H,10H2,1-2H3
InChIKeyGYQMUARWYMQWGG-UHFFFAOYSA-N
XLogP4.29
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-2-(furan-2-yl)-1,3-thiazole
CID 32654597
4-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-thiazole
CID 26643672
2-(furan-2-yl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3-thiazole
CID 47142123
5-(furan-2-yl)-3-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole
CID 8684722
[4-ethyl-5-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-3-yl]methanamine
CID 63314037
2-(5-methylfuran-2-yl)-4-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
CID 39530014
2-(furan-2-yl)-4-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole
CID 47019397
3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]aniline
CID 79134488
4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole
CID 24666094
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]propan-1-amine
CID 66243923
4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(3-methylphenyl)-1,3-thiazole
CID 3313762
4-[[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(3-methoxyphenyl)-1,3-thiazole
CID 7878128

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(furan-2-yl)-1,3-thiazole?
The IUPAC name of 4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(furan-2-yl)-1,3-thiazole (CID 31398044) is 4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(furan-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(furan-2-yl)-1,3-thiazole?
The canonical SMILES for 4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(furan-2-yl)-1,3-thiazole is Cc1cccc(C)c1-n1nnnc1SCc1csc(-c2ccco2)n1.
What is the InChIKey of 4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(furan-2-yl)-1,3-thiazole?
The InChIKey is GYQMUARWYMQWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS2/c1-11-5-3-6-12(2)15(11)22-17(19-20-21-22)25-10-13-9-24-16(18-13)14-7-4-8-23-14/h3-9H,10H2,1-2H3.
What are the key properties of 4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(furan-2-yl)-1,3-thiazole?
4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(furan-2-yl)-1,3-thiazole has a molecular weight of 369.48 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(furan-2-yl)-1,3-thiazole is sourced from PubChem (CID 31398044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).