2-[1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide

C19H20N6O3S — CID 137473009

IUPAC2-[1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide
SMILESCNC(=O)CNC(=O)c1csc(C2CCCN2C(=O)c2cn3ccccc3n2)n1
InChIInChI=1S/C19H20N6O3S/c1-20-16(26)9-21-17(27)13-11-29-18(23-13)14-5-4-8-25(14)19(28)12-10-24-7-3-2-6-15(24)22-12/h2-3,6-7,10-11,14H,4-5,8-9H2,1H3,(H,20,26)(H,21,27)
InChIKeyNEQVQLHWRAFWGV-UHFFFAOYSA-N
MW412.48 g/mol
LogP1.24
Rot. Bonds5

About 2-[1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide

2-[1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide (PubChem CID 137473009) has the molecular formula C19H20N6O3S and a molecular weight of 412.48 g/mol. Its IUPAC name is 2-[1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide
PubChem CID137473009
Molecular FormulaC19H20N6O3S
Molecular Weight412.48 g/mol
Exact Mass412.13
IUPAC Name2-[1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide
SMILESCNC(=O)CNC(=O)c1csc(C2CCCN2C(=O)c2cn3ccccc3n2)n1
InChIInChI=1S/C19H20N6O3S/c1-20-16(26)9-21-17(27)13-11-29-18(23-13)14-5-4-8-25(14)19(28)12-10-24-7-3-2-6-15(24)22-12/h2-3,6-7,10-11,14H,4-5,8-9H2,1H3,(H,20,26)(H,21,27)
InChIKeyNEQVQLHWRAFWGV-UHFFFAOYSA-N
XLogP1.24
TPSA108.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide (CID 137473009) is 2-[1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide is CNC(=O)CNC(=O)c1csc(C2CCCN2C(=O)c2cn3ccccc3n2)n1.
What is the InChIKey of 2-[1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is NEQVQLHWRAFWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3S/c1-20-16(26)9-21-17(27)13-11-29-18(23-13)14-5-4-8-25(14)19(28)12-10-24-7-3-2-6-15(24)22-12/h2-3,6-7,10-11,14H,4-5,8-9H2,1H3,(H,20,26)(H,21,27).
What are the key properties of 2-[1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide?
2-[1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 412.48 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 137473009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).