2-[[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-benzothiazole

C17H15N5OS2 — CID 2608648

IUPAC2-[[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-benzothiazole
SMILESCOc1ccc(C)cc1-n1nnnc1SCc1nc2ccccc2s1
InChIInChI=1S/C17H15N5OS2/c1-11-7-8-14(23-2)13(9-11)22-17(19-20-21-22)24-10-16-18-12-5-3-4-6-15(12)25-16/h3-9H,10H2,1-2H3
InChIKeyGGOXXPDZGAXDBB-UHFFFAOYSA-N
MW369.48 g/mol
LogP3.88
Rot. Bonds5

About 2-[[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-benzothiazole

2-[[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-benzothiazole (PubChem CID 2608648) has the molecular formula C17H15N5OS2 and a molecular weight of 369.48 g/mol. Its IUPAC name is 2-[[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-benzothiazole
PubChem CID2608648
Molecular FormulaC17H15N5OS2
Molecular Weight369.48 g/mol
Exact Mass369.07
IUPAC Name2-[[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-benzothiazole
SMILESCOc1ccc(C)cc1-n1nnnc1SCc1nc2ccccc2s1
InChIInChI=1S/C17H15N5OS2/c1-11-7-8-14(23-2)13(9-11)22-17(19-20-21-22)24-10-16-18-12-5-3-4-6-15(12)25-16/h3-9H,10H2,1-2H3
InChIKeyGGOXXPDZGAXDBB-UHFFFAOYSA-N
XLogP3.88
TPSA65.72 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 ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-benzothiazole?
The IUPAC name of 2-[[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-benzothiazole (CID 2608648) is 2-[[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-benzothiazole?
The canonical SMILES for 2-[[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-benzothiazole is COc1ccc(C)cc1-n1nnnc1SCc1nc2ccccc2s1.
What is the InChIKey of 2-[[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-benzothiazole?
The InChIKey is GGOXXPDZGAXDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS2/c1-11-7-8-14(23-2)13(9-11)22-17(19-20-21-22)24-10-16-18-12-5-3-4-6-15(12)25-16/h3-9H,10H2,1-2H3.
What are the key properties of 2-[[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-benzothiazole?
2-[[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-benzothiazole has a molecular weight of 369.48 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-benzothiazole is sourced from PubChem (CID 2608648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).