4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)thiomorpholine-3-carboxylic acid

C14H15N3O3S — CID 82902822

IUPAC4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)thiomorpholine-3-carboxylic acid
SMILESCc1cccc2nc(C(=O)N3CCSCC3C(=O)O)cn12
InChIInChI=1S/C14H15N3O3S/c1-9-3-2-4-12-15-10(7-17(9)12)13(18)16-5-6-21-8-11(16)14(19)20/h2-4,7,11H,5-6,8H2,1H3,(H,19,20)
InChIKeyMDKBMHFACZHZCE-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.28
Rot. Bonds2

About 4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)thiomorpholine-3-carboxylic acid

4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)thiomorpholine-3-carboxylic acid (PubChem CID 82902822) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)thiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)thiomorpholine-3-carboxylic acid
PubChem CID82902822
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)thiomorpholine-3-carboxylic acid
SMILESCc1cccc2nc(C(=O)N3CCSCC3C(=O)O)cn12
InChIInChI=1S/C14H15N3O3S/c1-9-3-2-4-12-15-10(7-17(9)12)13(18)16-5-6-21-8-11(16)14(19)20/h2-4,7,11H,5-6,8H2,1H3,(H,19,20)
InChIKeyMDKBMHFACZHZCE-UHFFFAOYSA-N
XLogP1.28
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(3S)-4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)thiomorpholin-3-yl]acetate
CID 96508154
1-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 63030760
[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 94102823
[2-(hydroxymethyl)azepan-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 116636500
(4-methylazepan-1-yl)-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 56821890
(5-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95313911
(5-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95315443
(5-methylimidazo[1,2-a]pyridin-2-yl)-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95315442
4-(2-hydroxy-5-methylbenzoyl)thiomorpholine-3-carboxylic acid
CID 78980529
(5-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]methanone
CID 124966275
(3S,8aR)-3-methyl-2-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one
CID 137343036
[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 110108328

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)thiomorpholine-3-carboxylic acid?
The IUPAC name of 4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)thiomorpholine-3-carboxylic acid (CID 82902822) is 4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)thiomorpholine-3-carboxylic acid.
What is the SMILES notation for 4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)thiomorpholine-3-carboxylic acid?
The canonical SMILES for 4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)thiomorpholine-3-carboxylic acid is Cc1cccc2nc(C(=O)N3CCSCC3C(=O)O)cn12.
What is the InChIKey of 4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)thiomorpholine-3-carboxylic acid?
The InChIKey is MDKBMHFACZHZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-9-3-2-4-12-15-10(7-17(9)12)13(18)16-5-6-21-8-11(16)14(19)20/h2-4,7,11H,5-6,8H2,1H3,(H,19,20).
What are the key properties of 4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)thiomorpholine-3-carboxylic acid?
4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)thiomorpholine-3-carboxylic acid has a molecular weight of 305.36 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)thiomorpholine-3-carboxylic acid is sourced from PubChem (CID 82902822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).