6-[3-(dimethylamino)phenyl]-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C18H18N6S — CID 67221992

IUPAC6-[3-(dimethylamino)phenyl]-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCN(C)c1cccc(-c2cn3nc(NCc4cccnc4)sc3n2)c1
InChIInChI=1S/C18H18N6S/c1-23(2)15-7-3-6-14(9-15)16-12-24-18(21-16)25-17(22-24)20-11-13-5-4-8-19-10-13/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeyGIOAAEZVOWBDQT-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.53
Rot. Bonds5

About 6-[3-(dimethylamino)phenyl]-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

6-[3-(dimethylamino)phenyl]-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 67221992) has the molecular formula C18H18N6S and a molecular weight of 350.45 g/mol. Its IUPAC name is 6-[3-(dimethylamino)phenyl]-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name6-[3-(dimethylamino)phenyl]-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID67221992
Molecular FormulaC18H18N6S
Molecular Weight350.45 g/mol
Exact Mass350.13
IUPAC Name6-[3-(dimethylamino)phenyl]-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCN(C)c1cccc(-c2cn3nc(NCc4cccnc4)sc3n2)c1
InChIInChI=1S/C18H18N6S/c1-23(2)15-7-3-6-14(9-15)16-12-24-18(21-16)25-17(22-24)20-11-13-5-4-8-19-10-13/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeyGIOAAEZVOWBDQT-UHFFFAOYSA-N
XLogP3.53
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(pyridin-3-ylmethyl)-6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67222014
6-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67220988
N-(pyridin-3-ylmethyl)-6-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67108322
N-[[4-(dimethylamino)phenyl]methyl]-6-(3-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67220880
N-[(3,4-dimethoxyphenyl)methyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133462771
6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67222385
(E)-3-[4-[2-(pyridin-3-ylmethylamino)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]prop-2-enoic acid
CID 67335354
N-prop-2-ynyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133481591
N-[[4-(dimethylamino)phenyl]methyl]-6-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67221391
N-benzyl-6-[2-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67221229
5-[3-(dimethylamino)phenyl]-N-[[4-(dimethylamino)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 58285501
N-phenyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133462554

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)phenyl]-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 6-[3-(dimethylamino)phenyl]-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 67221992) is 6-[3-(dimethylamino)phenyl]-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 6-[3-(dimethylamino)phenyl]-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 6-[3-(dimethylamino)phenyl]-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is CN(C)c1cccc(-c2cn3nc(NCc4cccnc4)sc3n2)c1.
What is the InChIKey of 6-[3-(dimethylamino)phenyl]-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is GIOAAEZVOWBDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6S/c1-23(2)15-7-3-6-14(9-15)16-12-24-18(21-16)25-17(22-24)20-11-13-5-4-8-19-10-13/h3-10,12H,11H2,1-2H3,(H,20,22).
What are the key properties of 6-[3-(dimethylamino)phenyl]-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
6-[3-(dimethylamino)phenyl]-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 350.45 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)phenyl]-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 67221992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).