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

C13H14N6OS — CID 39749826

IUPAC2-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethylamino]pyridine-3-carboxamide
SMILESCc1nn2cc(CCNc3ncccc3C(N)=O)nc2s1
InChIInChI=1S/C13H14N6OS/c1-8-18-19-7-9(17-13(19)21-8)4-6-16-12-10(11(14)20)3-2-5-15-12/h2-3,5,7H,4,6H2,1H3,(H2,14,20)(H,15,16)
InChIKeyIKECXWQSOXXQSL-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.25
Rot. Bonds5

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

2-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethylamino]pyridine-3-carboxamide (PubChem CID 39749826) has the molecular formula C13H14N6OS and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethylamino]pyridine-3-carboxamide
PubChem CID39749826
Molecular FormulaC13H14N6OS
Molecular Weight302.36 g/mol
Exact Mass302.09
IUPAC Name2-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethylamino]pyridine-3-carboxamide
SMILESCc1nn2cc(CCNc3ncccc3C(N)=O)nc2s1
InChIInChI=1S/C13H14N6OS/c1-8-18-19-7-9(17-13(19)21-8)4-6-16-12-10(11(14)20)3-2-5-15-12/h2-3,5,7H,4,6H2,1H3,(H2,14,20)(H,15,16)
InChIKeyIKECXWQSOXXQSL-UHFFFAOYSA-N
XLogP1.25
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethylamino]pyridine-3-carboxamide?
The IUPAC name of 2-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethylamino]pyridine-3-carboxamide (CID 39749826) is 2-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethylamino]pyridine-3-carboxamide.
What is the SMILES notation for 2-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethylamino]pyridine-3-carboxamide?
The canonical SMILES for 2-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethylamino]pyridine-3-carboxamide is Cc1nn2cc(CCNc3ncccc3C(N)=O)nc2s1.
What is the InChIKey of 2-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethylamino]pyridine-3-carboxamide?
The InChIKey is IKECXWQSOXXQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6OS/c1-8-18-19-7-9(17-13(19)21-8)4-6-16-12-10(11(14)20)3-2-5-15-12/h2-3,5,7H,4,6H2,1H3,(H2,14,20)(H,15,16).
What are the key properties of 2-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethylamino]pyridine-3-carboxamide?
2-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethylamino]pyridine-3-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 39749826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).