1-methyl-5-(3-methyl-1-benzothiophen-5-yl)tetrazole

C11H10N4S — CID 19977111

IUPAC1-methyl-5-(3-methyl-1-benzothiophen-5-yl)tetrazole
SMILESCc1csc2ccc(-c3nnnn3C)cc12
InChIInChI=1S/C11H10N4S/c1-7-6-16-10-4-3-8(5-9(7)10)11-12-13-14-15(11)2/h3-6H,1-2H3
InChIKeyKQZFNYQMEWZOMG-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.40
Rot. Bonds1

About 1-methyl-5-(3-methyl-1-benzothiophen-5-yl)tetrazole

1-methyl-5-(3-methyl-1-benzothiophen-5-yl)tetrazole (PubChem CID 19977111) has the molecular formula C11H10N4S and a molecular weight of 230.30 g/mol. Its IUPAC name is 1-methyl-5-(3-methyl-1-benzothiophen-5-yl)tetrazole.

Molecular Properties

Compound Name1-methyl-5-(3-methyl-1-benzothiophen-5-yl)tetrazole
PubChem CID19977111
Molecular FormulaC11H10N4S
Molecular Weight230.30 g/mol
Exact Mass230.06
IUPAC Name1-methyl-5-(3-methyl-1-benzothiophen-5-yl)tetrazole
SMILESCc1csc2ccc(-c3nnnn3C)cc12
InChIInChI=1S/C11H10N4S/c1-7-6-16-10-4-3-8(5-9(7)10)11-12-13-14-15(11)2/h3-6H,1-2H3
InChIKeyKQZFNYQMEWZOMG-UHFFFAOYSA-N
XLogP2.40
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(3-methyl-1-benzothiophen-5-yl)tetrazole?
The IUPAC name of 1-methyl-5-(3-methyl-1-benzothiophen-5-yl)tetrazole (CID 19977111) is 1-methyl-5-(3-methyl-1-benzothiophen-5-yl)tetrazole.
What is the SMILES notation for 1-methyl-5-(3-methyl-1-benzothiophen-5-yl)tetrazole?
The canonical SMILES for 1-methyl-5-(3-methyl-1-benzothiophen-5-yl)tetrazole is Cc1csc2ccc(-c3nnnn3C)cc12.
What is the InChIKey of 1-methyl-5-(3-methyl-1-benzothiophen-5-yl)tetrazole?
The InChIKey is KQZFNYQMEWZOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S/c1-7-6-16-10-4-3-8(5-9(7)10)11-12-13-14-15(11)2/h3-6H,1-2H3.
What are the key properties of 1-methyl-5-(3-methyl-1-benzothiophen-5-yl)tetrazole?
1-methyl-5-(3-methyl-1-benzothiophen-5-yl)tetrazole has a molecular weight of 230.30 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(3-methyl-1-benzothiophen-5-yl)tetrazole is sourced from PubChem (CID 19977111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).