4-[1-(1,3-benzothiazol-2-yl)tetrazol-5-yl]-N,N-dimethylaniline

C16H14N6S — CID 155522072

IUPAC4-[1-(1,3-benzothiazol-2-yl)tetrazol-5-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nnnn2-c2nc3ccccc3s2)cc1
InChIInChI=1S/C16H14N6S/c1-21(2)12-9-7-11(8-10-12)15-18-19-20-22(15)16-17-13-5-3-4-6-14(13)23-16/h3-10H,1-2H3
InChIKeyOTNWKTAMPAOPDO-UHFFFAOYSA-N
MW322.40 g/mol
LogP3.01
Rot. Bonds3

About 4-[1-(1,3-benzothiazol-2-yl)tetrazol-5-yl]-N,N-dimethylaniline

4-[1-(1,3-benzothiazol-2-yl)tetrazol-5-yl]-N,N-dimethylaniline (PubChem CID 155522072) has the molecular formula C16H14N6S and a molecular weight of 322.40 g/mol. Its IUPAC name is 4-[1-(1,3-benzothiazol-2-yl)tetrazol-5-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[1-(1,3-benzothiazol-2-yl)tetrazol-5-yl]-N,N-dimethylaniline
PubChem CID155522072
Molecular FormulaC16H14N6S
Molecular Weight322.40 g/mol
Exact Mass322.10
IUPAC Name4-[1-(1,3-benzothiazol-2-yl)tetrazol-5-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nnnn2-c2nc3ccccc3s2)cc1
InChIInChI=1S/C16H14N6S/c1-21(2)12-9-7-11(8-10-12)15-18-19-20-22(15)16-17-13-5-3-4-6-14(13)23-16/h3-10H,1-2H3
InChIKeyOTNWKTAMPAOPDO-UHFFFAOYSA-N
XLogP3.01
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[1-(1,3-benzothiazol-2-yl)tetrazol-5-yl]-N,N-dimethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,3-benzothiazol-2-yl)tetrazol-5-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[1-(1,3-benzothiazol-2-yl)tetrazol-5-yl]-N,N-dimethylaniline (CID 155522072) is 4-[1-(1,3-benzothiazol-2-yl)tetrazol-5-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[1-(1,3-benzothiazol-2-yl)tetrazol-5-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[1-(1,3-benzothiazol-2-yl)tetrazol-5-yl]-N,N-dimethylaniline is CN(C)c1ccc(-c2nnnn2-c2nc3ccccc3s2)cc1.
What is the InChIKey of 4-[1-(1,3-benzothiazol-2-yl)tetrazol-5-yl]-N,N-dimethylaniline?
The InChIKey is OTNWKTAMPAOPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6S/c1-21(2)12-9-7-11(8-10-12)15-18-19-20-22(15)16-17-13-5-3-4-6-14(13)23-16/h3-10H,1-2H3.
What are the key properties of 4-[1-(1,3-benzothiazol-2-yl)tetrazol-5-yl]-N,N-dimethylaniline?
4-[1-(1,3-benzothiazol-2-yl)tetrazol-5-yl]-N,N-dimethylaniline has a molecular weight of 322.40 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1,3-benzothiazol-2-yl)tetrazol-5-yl]-N,N-dimethylaniline is sourced from PubChem (CID 155522072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).