2-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide

C13H18N6OS — CID 129005216

IUPAC2-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCN(CC(=O)Nc1nncs1)CC1CCc2nccn2C1
InChIInChI=1S/C13H18N6OS/c1-18(8-12(20)16-13-17-15-9-21-13)6-10-2-3-11-14-4-5-19(11)7-10/h4-5,9-10H,2-3,6-8H2,1H3,(H,16,17,20)
InChIKeyORVRPLHKYVAPHG-UHFFFAOYSA-N
MW306.39 g/mol
LogP0.87
Rot. Bonds5

About 2-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide

2-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 129005216) has the molecular formula C13H18N6OS and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID129005216
Molecular FormulaC13H18N6OS
Molecular Weight306.39 g/mol
Exact Mass306.13
IUPAC Name2-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCN(CC(=O)Nc1nncs1)CC1CCc2nccn2C1
InChIInChI=1S/C13H18N6OS/c1-18(8-12(20)16-13-17-15-9-21-13)6-10-2-3-11-14-4-5-19(11)7-10/h4-5,9-10H,2-3,6-8H2,1H3,(H,16,17,20)
InChIKeyORVRPLHKYVAPHG-UHFFFAOYSA-N
XLogP0.87
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 129005216) is 2-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide is CN(CC(=O)Nc1nncs1)CC1CCc2nccn2C1.
What is the InChIKey of 2-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is ORVRPLHKYVAPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6OS/c1-18(8-12(20)16-13-17-15-9-21-13)6-10-2-3-11-14-4-5-19(11)7-10/h4-5,9-10H,2-3,6-8H2,1H3,(H,16,17,20).
What are the key properties of 2-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 306.39 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 129005216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).