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

C16H12ClN5S — CID 67222385

IUPAC6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESClc1ccccc1-c1cn2nc(NCc3cccnc3)sc2n1
InChIInChI=1S/C16H12ClN5S/c17-13-6-2-1-5-12(13)14-10-22-16(20-14)23-15(21-22)19-9-11-4-3-7-18-8-11/h1-8,10H,9H2,(H,19,21)
InChIKeyIGHUXUJGOWCVPR-UHFFFAOYSA-N
MW341.83 g/mol
LogP4.12
Rot. Bonds4

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

6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 67222385) has the molecular formula C16H12ClN5S and a molecular weight of 341.83 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID67222385
Molecular FormulaC16H12ClN5S
Molecular Weight341.83 g/mol
Exact Mass341.05
IUPAC Name6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESClc1ccccc1-c1cn2nc(NCc3cccnc3)sc2n1
InChIInChI=1S/C16H12ClN5S/c17-13-6-2-1-5-12(13)14-10-22-16(20-14)23-15(21-22)19-9-11-4-3-7-18-8-11/h1-8,10H,9H2,(H,19,21)
InChIKeyIGHUXUJGOWCVPR-UHFFFAOYSA-N
XLogP4.12
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.83
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67220988
6-[3-(dimethylamino)phenyl]-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67221992
N-(pyridin-3-ylmethyl)-6-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67108322
N-(pyridin-3-ylmethyl)-6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67222014
(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-benzyl-6-[2-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67221229
N-prop-2-ynyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133481591
N-[(3,4-dimethoxyphenyl)methyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133462771
[2-[2-[(4-methoxyphenyl)methylamino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol
CID 67220726
N-phenyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133462554
6-(2-chlorophenyl)-2-ethylsulfanylimidazo[2,1-b][1,3,4]thiadiazole
CID 3497331
2,6-dichloro-N-(pyridin-3-ylmethyl)aniline
CID 913968

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 67222385) is 6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is Clc1ccccc1-c1cn2nc(NCc3cccnc3)sc2n1.
What is the InChIKey of 6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is IGHUXUJGOWCVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN5S/c17-13-6-2-1-5-12(13)14-10-22-16(20-14)23-15(21-22)19-9-11-4-3-7-18-8-11/h1-8,10H,9H2,(H,19,21).
What are the key properties of 6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 341.83 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 67222385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).