N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyridine-4-carboxamide

C13H13N5OS — CID 110873512

IUPACN-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyridine-4-carboxamide
SMILESCc1nn2cc(CCNC(=O)c3ccncc3)nc2s1
InChIInChI=1S/C13H13N5OS/c1-9-17-18-8-11(16-13(18)20-9)4-7-15-12(19)10-2-5-14-6-3-10/h2-3,5-6,8H,4,7H2,1H3,(H,15,19)
InChIKeyJFNGXQWRRJJISK-UHFFFAOYSA-N
MW287.35 g/mol
LogP1.47
Rot. Bonds4

About N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyridine-4-carboxamide

N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyridine-4-carboxamide (PubChem CID 110873512) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyridine-4-carboxamide
PubChem CID110873512
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC NameN-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyridine-4-carboxamide
SMILESCc1nn2cc(CCNC(=O)c3ccncc3)nc2s1
InChIInChI=1S/C13H13N5OS/c1-9-17-18-8-11(16-13(18)20-9)4-7-15-12(19)10-2-5-14-6-3-10/h2-3,5-6,8H,4,7H2,1H3,(H,15,19)
InChIKeyJFNGXQWRRJJISK-UHFFFAOYSA-N
XLogP1.47
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide
CID 110873509
N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]pyridine-3-carboxamide
CID 110873450
N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]morpholine-4-carboxamide
CID 110873517
7-fluoro-2-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]quinoline-4-carboxamide
CID 70709976
2-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethylamino]pyridine-3-carboxamide
CID 39749826
N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide
CID 42529427
N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 50957567
(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methanamine;hydrochloride
CID 82020552
5-methyl-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56907735
N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 157016835
N-[2-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
CID 110787242
5-(2-fluorophenyl)-N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70737591

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyridine-4-carboxamide (CID 110873512) is N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyridine-4-carboxamide is Cc1nn2cc(CCNC(=O)c3ccncc3)nc2s1.
What is the InChIKey of N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is JFNGXQWRRJJISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS/c1-9-17-18-8-11(16-13(18)20-9)4-7-15-12(19)10-2-5-14-6-3-10/h2-3,5-6,8H,4,7H2,1H3,(H,15,19).
What are the key properties of N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyridine-4-carboxamide?
N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 287.35 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 110873512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).