2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-benzothiazole

C15H11N5S2 — CID 2345708

IUPAC2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-benzothiazole
SMILESc1ccc(-n2nnnc2SCc2nc3ccccc3s2)cc1
InChIInChI=1S/C15H11N5S2/c1-2-6-11(7-3-1)20-15(17-18-19-20)21-10-14-16-12-8-4-5-9-13(12)22-14/h1-9H,10H2
InChIKeyVHIORQXFUZNSTO-UHFFFAOYSA-N
MW325.42 g/mol
LogP3.56
Rot. Bonds4

About 2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-benzothiazole

2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-benzothiazole (PubChem CID 2345708) has the molecular formula C15H11N5S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-benzothiazole
PubChem CID2345708
Molecular FormulaC15H11N5S2
Molecular Weight325.42 g/mol
Exact Mass325.05
IUPAC Name2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-benzothiazole
SMILESc1ccc(-n2nnnc2SCc2nc3ccccc3s2)cc1
InChIInChI=1S/C15H11N5S2/c1-2-6-11(7-3-1)20-15(17-18-19-20)21-10-14-16-12-8-4-5-9-13(12)22-14/h1-9H,10H2
InChIKeyVHIORQXFUZNSTO-UHFFFAOYSA-N
XLogP3.56
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(1-phenyltetrazol-5-yl)sulfanylpropylsulfanyl]-1,3-benzothiazole
CID 2328314
4-(1,3-benzothiazol-2-ylmethylsulfanyl)-2-phenylphthalazin-1-one
CID 71338251
2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole
CID 40567723
5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-phenyltetrazole
CID 51140263
2-[[4-phenyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole
CID 27737642
2-methyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole
CID 972372
5-[(2-methylphenyl)methylsulfanyl]-1-phenyltetrazole
CID 3638084
5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-2,1,3-benzothiadiazole
CID 836981
[5-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 104631183
1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(1-phenyltetrazol-5-yl)sulfanylethanone
CID 41213778
3-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-(2-fluorophenyl)-1,2,4-triazol-4-amine
CID 2558458
2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole
CID 78765201

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-benzothiazole?
The IUPAC name of 2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-benzothiazole (CID 2345708) is 2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-benzothiazole?
The canonical SMILES for 2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-benzothiazole is c1ccc(-n2nnnc2SCc2nc3ccccc3s2)cc1.
What is the InChIKey of 2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-benzothiazole?
The InChIKey is VHIORQXFUZNSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5S2/c1-2-6-11(7-3-1)20-15(17-18-19-20)21-10-14-16-12-8-4-5-9-13(12)22-14/h1-9H,10H2.
What are the key properties of 2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-benzothiazole?
2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-benzothiazole has a molecular weight of 325.42 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-benzothiazole is sourced from PubChem (CID 2345708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).