4-[6-(aminomethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N,N-dimethylaniline

C13H15N5S — CID 96670698

IUPAC4-[6-(aminomethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nn3cc(CN)nc3s2)cc1
InChIInChI=1S/C13H15N5S/c1-17(2)11-5-3-9(4-6-11)12-16-18-8-10(7-14)15-13(18)19-12/h3-6,8H,7,14H2,1-2H3
InChIKeySHRPGKGBMPPPKC-UHFFFAOYSA-N
MW273.37 g/mol
LogP1.98
Rot. Bonds3

About 4-[6-(aminomethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N,N-dimethylaniline

4-[6-(aminomethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N,N-dimethylaniline (PubChem CID 96670698) has the molecular formula C13H15N5S and a molecular weight of 273.37 g/mol. Its IUPAC name is 4-[6-(aminomethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[6-(aminomethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N,N-dimethylaniline
PubChem CID96670698
Molecular FormulaC13H15N5S
Molecular Weight273.37 g/mol
Exact Mass273.10
IUPAC Name4-[6-(aminomethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nn3cc(CN)nc3s2)cc1
InChIInChI=1S/C13H15N5S/c1-17(2)11-5-3-9(4-6-11)12-16-18-8-10(7-14)15-13(18)19-12/h3-6,8H,7,14H2,1-2H3
InChIKeySHRPGKGBMPPPKC-UHFFFAOYSA-N
XLogP1.98
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(aminomethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[6-(aminomethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N,N-dimethylaniline (CID 96670698) is 4-[6-(aminomethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[6-(aminomethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[6-(aminomethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N,N-dimethylaniline is CN(C)c1ccc(-c2nn3cc(CN)nc3s2)cc1.
What is the InChIKey of 4-[6-(aminomethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N,N-dimethylaniline?
The InChIKey is SHRPGKGBMPPPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5S/c1-17(2)11-5-3-9(4-6-11)12-16-18-8-10(7-14)15-13(18)19-12/h3-6,8H,7,14H2,1-2H3.
What are the key properties of 4-[6-(aminomethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N,N-dimethylaniline?
4-[6-(aminomethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N,N-dimethylaniline has a molecular weight of 273.37 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(aminomethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N,N-dimethylaniline is sourced from PubChem (CID 96670698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).