2-(2-methyl-1,3-thiazol-4-yl)-1-[2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone

C20H24N4O3S — CID 110264477

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-1-[2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
SMILESCc1nc(CC(=O)N2CCCC2c2ccc(C(=O)N3CCOCC3)cn2)cs1
InChIInChI=1S/C20H24N4O3S/c1-14-22-16(13-28-14)11-19(25)24-6-2-3-18(24)17-5-4-15(12-21-17)20(26)23-7-9-27-10-8-23/h4-5,12-13,18H,2-3,6-11H2,1H3
InChIKeyVAYIUCHWIDYNSD-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.23
Rot. Bonds4

About 2-(2-methyl-1,3-thiazol-4-yl)-1-[2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone

2-(2-methyl-1,3-thiazol-4-yl)-1-[2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone (PubChem CID 110264477) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-1-[2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-1-[2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
PubChem CID110264477
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-1-[2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
SMILESCc1nc(CC(=O)N2CCCC2c2ccc(C(=O)N3CCOCC3)cn2)cs1
InChIInChI=1S/C20H24N4O3S/c1-14-22-16(13-28-14)11-19(25)24-6-2-3-18(24)17-5-4-15(12-21-17)20(26)23-7-9-27-10-8-23/h4-5,12-13,18H,2-3,6-11H2,1H3
InChIKeyVAYIUCHWIDYNSD-UHFFFAOYSA-N
XLogP2.23
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2-methyl-1,3-thiazol-4-yl)-1-[2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 92623199
1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 125026523
[6-[(2R)-1-(6-methoxypyridine-3-carbonyl)pyrrolidin-2-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 92623624
(2-methyl-3H-benzimidazol-5-yl)-[(2R)-2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 92623249
[6-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 110264459
1-[(2R)-2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 95835363
2-(benzotriazol-1-yl)-1-[(2R)-2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 92623245
2-(2-methyl-1,3-thiazol-4-yl)-1-[(3R)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 95840526
2-(2-methyl-1,3-thiazol-4-yl)-1-[(2R)-2-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl]ethanone
CID 125004350
1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 87007135
1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 71928900
2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95818385

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-[2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-1-[2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone (CID 110264477) is 2-(2-methyl-1,3-thiazol-4-yl)-1-[2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-1-[2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-1-[2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone is Cc1nc(CC(=O)N2CCCC2c2ccc(C(=O)N3CCOCC3)cn2)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-1-[2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone?
The InChIKey is VAYIUCHWIDYNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-14-22-16(13-28-14)11-19(25)24-6-2-3-18(24)17-5-4-15(12-21-17)20(26)23-7-9-27-10-8-23/h4-5,12-13,18H,2-3,6-11H2,1H3.
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-1-[2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone?
2-(2-methyl-1,3-thiazol-4-yl)-1-[2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone has a molecular weight of 400.50 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-1-[2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110264477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).