2-[(2S,4R)-4-amino-1-(7-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid

C16H14ClN5O3S — CID 137465069

IUPAC2-[(2S,4R)-4-amino-1-(7-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid
SMILESN[C@@H]1C[C@@H](c2nc(C(=O)O)cs2)N(C(=O)c2cn3ccc(Cl)cc3n2)C1
InChIInChI=1S/C16H14ClN5O3S/c17-8-1-2-21-6-10(19-13(21)3-8)15(23)22-5-9(18)4-12(22)14-20-11(7-26-14)16(24)25/h1-3,6-7,9,12H,4-5,18H2,(H,24,25)/t9-,12+/m1/s1
InChIKeyFXVDJTGOAYCFTC-SKDRFNHKSA-N
MW391.84 g/mol
LogP2.06
Rot. Bonds3

About 2-[(2S,4R)-4-amino-1-(7-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid

2-[(2S,4R)-4-amino-1-(7-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid (PubChem CID 137465069) has the molecular formula C16H14ClN5O3S and a molecular weight of 391.84 g/mol. Its IUPAC name is 2-[(2S,4R)-4-amino-1-(7-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2S,4R)-4-amino-1-(7-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid
PubChem CID137465069
Molecular FormulaC16H14ClN5O3S
Molecular Weight391.84 g/mol
Exact Mass391.05
IUPAC Name2-[(2S,4R)-4-amino-1-(7-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid
SMILESN[C@@H]1C[C@@H](c2nc(C(=O)O)cs2)N(C(=O)c2cn3ccc(Cl)cc3n2)C1
InChIInChI=1S/C16H14ClN5O3S/c17-8-1-2-21-6-10(19-13(21)3-8)15(23)22-5-9(18)4-12(22)14-20-11(7-26-14)16(24)25/h1-3,6-7,9,12H,4-5,18H2,(H,24,25)/t9-,12+/m1/s1
InChIKeyFXVDJTGOAYCFTC-SKDRFNHKSA-N
XLogP2.06
TPSA113.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.84
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4R)-4-amino-1-(7-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(2S,4R)-4-amino-1-(7-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid (CID 137465069) is 2-[(2S,4R)-4-amino-1-(7-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(2S,4R)-4-amino-1-(7-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(2S,4R)-4-amino-1-(7-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid is N[C@@H]1C[C@@H](c2nc(C(=O)O)cs2)N(C(=O)c2cn3ccc(Cl)cc3n2)C1.
What is the InChIKey of 2-[(2S,4R)-4-amino-1-(7-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is FXVDJTGOAYCFTC-SKDRFNHKSA-N. The full InChI is InChI=1S/C16H14ClN5O3S/c17-8-1-2-21-6-10(19-13(21)3-8)15(23)22-5-9(18)4-12(22)14-20-11(7-26-14)16(24)25/h1-3,6-7,9,12H,4-5,18H2,(H,24,25)/t9-,12+/m1/s1.
What are the key properties of 2-[(2S,4R)-4-amino-1-(7-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid?
2-[(2S,4R)-4-amino-1-(7-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 391.84 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4R)-4-amino-1-(7-chloroimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 137465069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).