2-(1-methyltetrazol-5-yl)sulfanyl-1,3-benzothiazole

C9H7N5S2 — CID 18707851

IUPAC2-(1-methyltetrazol-5-yl)sulfanyl-1,3-benzothiazole
SMILESCn1nnnc1Sc1nc2ccccc2s1
InChIInChI=1S/C9H7N5S2/c1-14-8(11-12-13-14)16-9-10-6-4-2-3-5-7(6)15-9/h2-5H,1H3
InChIKeyIELNQZGBMRVAKO-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.97
Rot. Bonds2

About 2-(1-methyltetrazol-5-yl)sulfanyl-1,3-benzothiazole

2-(1-methyltetrazol-5-yl)sulfanyl-1,3-benzothiazole (PubChem CID 18707851) has the molecular formula C9H7N5S2 and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanyl-1,3-benzothiazole
PubChem CID18707851
Molecular FormulaC9H7N5S2
Molecular Weight249.32 g/mol
Exact Mass249.01
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanyl-1,3-benzothiazole
SMILESCn1nnnc1Sc1nc2ccccc2s1
InChIInChI=1S/C9H7N5S2/c1-14-8(11-12-13-14)16-9-10-6-4-2-3-5-7(6)15-9/h2-5H,1H3
InChIKeyIELNQZGBMRVAKO-UHFFFAOYSA-N
XLogP1.97
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-tert-butyltetrazol-5-yl)sulfanyl-1,3-benzothiazole
CID 18707808
2-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole
CID 25250348
2-[3-(1-phenyltetrazol-5-yl)sulfanylpropylsulfanyl]-1,3-benzothiazole
CID 2328314
ethane;2-methylsulfanyl-1,3-benzothiazole
CID 143023766
2-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3-benzothiazole;hydrochloride
CID 154908241
[5-(1,3-benzothiazol-2-ylsulfanyl)-1,3-dimethylpyrazol-4-yl]methanamine
CID 63758237
2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-1,3-benzothiazole
CID 83156623
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3-benzothiazole
CID 21234014
2-[(1-butyltetrazol-5-yl)methylsulfanyl]-1,3-benzothiazole
CID 47009351
2-(1,3-benzothiazol-2-ylsulfanyl)-1,3-thiazole-5-carbaldehyde
CID 1484909
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 4803701
2-(1-methyltetrazol-5-yl)sulfanyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 133462759

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-1,3-benzothiazole?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-1,3-benzothiazole (CID 18707851) is 2-(1-methyltetrazol-5-yl)sulfanyl-1,3-benzothiazole.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanyl-1,3-benzothiazole?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanyl-1,3-benzothiazole is Cn1nnnc1Sc1nc2ccccc2s1.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanyl-1,3-benzothiazole?
The InChIKey is IELNQZGBMRVAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5S2/c1-14-8(11-12-13-14)16-9-10-6-4-2-3-5-7(6)15-9/h2-5H,1H3.
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanyl-1,3-benzothiazole?
2-(1-methyltetrazol-5-yl)sulfanyl-1,3-benzothiazole has a molecular weight of 249.32 g/mol, XLogP of 1.97, 2 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)sulfanyl-1,3-benzothiazole is sourced from PubChem (CID 18707851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).