2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone

C16H25N3O3S — CID 110098043

IUPAC2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone
SMILESCc1nc(C)c(CC(=O)N2CCC(O)(CN3CCOCC3)C2)s1
InChIInChI=1S/C16H25N3O3S/c1-12-14(23-13(2)17-12)9-15(20)19-4-3-16(21,11-19)10-18-5-7-22-8-6-18/h21H,3-11H2,1-2H3
InChIKeyZKHCRZRYSOLSLQ-UHFFFAOYSA-N
MW339.46 g/mol
LogP0.60
Rot. Bonds4

About 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone

2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone (PubChem CID 110098043) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone
PubChem CID110098043
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone
SMILESCc1nc(C)c(CC(=O)N2CCC(O)(CN3CCOCC3)C2)s1
InChIInChI=1S/C16H25N3O3S/c1-12-14(23-13(2)17-12)9-15(20)19-4-3-16(21,11-19)10-18-5-7-22-8-6-18/h21H,3-11H2,1-2H3
InChIKeyZKHCRZRYSOLSLQ-UHFFFAOYSA-N
XLogP0.60
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone (CID 110098043) is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone is Cc1nc(C)c(CC(=O)N2CCC(O)(CN3CCOCC3)C2)s1.
What is the InChIKey of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is ZKHCRZRYSOLSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-12-14(23-13(2)17-12)9-15(20)19-4-3-16(21,11-19)10-18-5-7-22-8-6-18/h21H,3-11H2,1-2H3.
What are the key properties of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone?
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 339.46 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110098043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).