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

C10H9N5S2 — CID 2379308

IUPAC2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-benzothiazole
SMILESCn1nnnc1SCc1nc2ccccc2s1
InChIInChI=1S/C10H9N5S2/c1-15-10(12-13-14-15)16-6-9-11-7-4-2-3-5-8(7)17-9/h2-5H,6H2,1H3
InChIKeyRUUTWTNSTRXECO-UHFFFAOYSA-N
MW263.35 g/mol
LogP2.11
Rot. Bonds3

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

2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-benzothiazole (PubChem CID 2379308) has the molecular formula C10H9N5S2 and a molecular weight of 263.35 g/mol. Its IUPAC name is 2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-benzothiazole
PubChem CID2379308
Molecular FormulaC10H9N5S2
Molecular Weight263.35 g/mol
Exact Mass263.03
IUPAC Name2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-benzothiazole
SMILESCn1nnnc1SCc1nc2ccccc2s1
InChIInChI=1S/C10H9N5S2/c1-15-10(12-13-14-15)16-6-9-11-7-4-2-3-5-8(7)17-9/h2-5H,6H2,1H3
InChIKeyRUUTWTNSTRXECO-UHFFFAOYSA-N
XLogP2.11
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.35
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-benzothiazole?
The IUPAC name of 2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-benzothiazole (CID 2379308) is 2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-benzothiazole?
The canonical SMILES for 2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-benzothiazole is Cn1nnnc1SCc1nc2ccccc2s1.
What is the InChIKey of 2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-benzothiazole?
The InChIKey is RUUTWTNSTRXECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5S2/c1-15-10(12-13-14-15)16-6-9-11-7-4-2-3-5-8(7)17-9/h2-5H,6H2,1H3.
What are the key properties of 2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-benzothiazole?
2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-benzothiazole has a molecular weight of 263.35 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-benzothiazole is sourced from PubChem (CID 2379308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).