N-methyl-6-pyridin-3-yl-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C17H16N6S — CID 133462711

IUPACN-methyl-6-pyridin-3-yl-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCN(CCc1ccccn1)c1nn2cc(-c3cccnc3)nc2s1
InChIInChI=1S/C17H16N6S/c1-22(10-7-14-6-2-3-9-19-14)17-21-23-12-15(20-16(23)24-17)13-5-4-8-18-11-13/h2-6,8-9,11-12H,7,10H2,1H3
InChIKeyPCHUOTZRSVYFQB-UHFFFAOYSA-N
MW336.42 g/mol
LogP2.93
Rot. Bonds5

About N-methyl-6-pyridin-3-yl-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-methyl-6-pyridin-3-yl-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 133462711) has the molecular formula C17H16N6S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-methyl-6-pyridin-3-yl-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-6-pyridin-3-yl-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID133462711
Molecular FormulaC17H16N6S
Molecular Weight336.42 g/mol
Exact Mass336.12
IUPAC NameN-methyl-6-pyridin-3-yl-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCN(CCc1ccccn1)c1nn2cc(-c3cccnc3)nc2s1
InChIInChI=1S/C17H16N6S/c1-22(10-7-14-6-2-3-9-19-14)17-21-23-12-15(20-16(23)24-17)13-5-4-8-18-11-13/h2-6,8-9,11-12H,7,10H2,1H3
InChIKeyPCHUOTZRSVYFQB-UHFFFAOYSA-N
XLogP2.93
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-ethoxyethyl)-N-methyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133463120
N-[(2-methoxyphenyl)methyl]-N-methyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133462980
N-methyl-N-(2-pyridin-2-ylethyl)-[1,3]thiazolo[4,5-c]pyridin-2-amine
CID 166601640
N-methyl-1-[6-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
CID 135193669
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-methyl-5-pyridin-2-yl-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 133466920
6-phenyl-2-(pyridin-3-ylmethylsulfonyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 11314285
N-methyl-2-pyridin-2-yl-N-(pyridin-3-ylmethyl)ethanamine
CID 2055754
N-methyl-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 166600998
[2-[methyl(2-pyridin-2-ylethyl)amino]-1,3-thiazol-5-yl]methanol
CID 62752453
methyl 4-[[methyl-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]methyl]benzoate
CID 47025653

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-pyridin-3-yl-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-methyl-6-pyridin-3-yl-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 133462711) is N-methyl-6-pyridin-3-yl-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-methyl-6-pyridin-3-yl-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-methyl-6-pyridin-3-yl-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is CN(CCc1ccccn1)c1nn2cc(-c3cccnc3)nc2s1.
What is the InChIKey of N-methyl-6-pyridin-3-yl-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is PCHUOTZRSVYFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6S/c1-22(10-7-14-6-2-3-9-19-14)17-21-23-12-15(20-16(23)24-17)13-5-4-8-18-11-13/h2-6,8-9,11-12H,7,10H2,1H3.
What are the key properties of N-methyl-6-pyridin-3-yl-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-methyl-6-pyridin-3-yl-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 336.42 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-pyridin-3-yl-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 133462711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).