N-[(2-methoxyphenyl)methyl]-N-methyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

C18H17N5OS — CID 133462980

IUPACN-[(2-methoxyphenyl)methyl]-N-methyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCOc1ccccc1CN(C)c1nn2cc(-c3cccnc3)nc2s1
InChIInChI=1S/C18H17N5OS/c1-22(11-14-6-3-4-8-16(14)24-2)18-21-23-12-15(20-17(23)25-18)13-7-5-9-19-10-13/h3-10,12H,11H2,1-2H3
InChIKeyMMFAKTHITCSNLW-UHFFFAOYSA-N
MW351.44 g/mol
LogP3.50
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-N-methyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-[(2-methoxyphenyl)methyl]-N-methyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 133462980) has the molecular formula C18H17N5OS and a molecular weight of 351.44 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-methyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-methyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID133462980
Molecular FormulaC18H17N5OS
Molecular Weight351.44 g/mol
Exact Mass351.12
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-methyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCOc1ccccc1CN(C)c1nn2cc(-c3cccnc3)nc2s1
InChIInChI=1S/C18H17N5OS/c1-22(11-14-6-3-4-8-16(14)24-2)18-21-23-12-15(20-17(23)25-18)13-7-5-9-19-10-13/h3-10,12H,11H2,1-2H3
InChIKeyMMFAKTHITCSNLW-UHFFFAOYSA-N
XLogP3.50
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[[methyl-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]benzoate
CID 47025653
N-[(3,4-dimethoxyphenyl)methyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133462771
2-methoxy-N-[4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]benzamide
CID 133462861
6-phenyl-2-(pyridin-3-ylmethylsulfonyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 11314285
N-phenyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133462554
N-prop-2-ynyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133481591
N-(pyridin-3-ylmethyl)-6-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67108322
N-[(2-methoxyphenyl)methyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine
CID 171324166
2-(4-phenylpiperazin-1-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 133462553
2-(4-chlorophenoxy)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 133462585
1-[4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)oxyphenyl]ethanone
CID 133462572
ethyl 4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazine-1-carboxylate
CID 133462646

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 133462980) is N-[(2-methoxyphenyl)methyl]-N-methyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-methyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-methyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is COc1ccccc1CN(C)c1nn2cc(-c3cccnc3)nc2s1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-methyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is MMFAKTHITCSNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5OS/c1-22(11-14-6-3-4-8-16(14)24-2)18-21-23-12-15(20-17(23)25-18)13-7-5-9-19-10-13/h3-10,12H,11H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-methyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-[(2-methoxyphenyl)methyl]-N-methyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 351.44 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-methyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 133462980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).