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

C15H23N3O3S — CID 156605318

IUPAC1-[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-(1,3-thiazol-4-yl)ethanone
SMILESO=C(Cc1cscn1)N1CC(CO)C(CN2CCOCC2)C1
InChIInChI=1S/C15H23N3O3S/c19-9-13-8-18(15(20)5-14-10-22-11-16-14)7-12(13)6-17-1-3-21-4-2-17/h10-13,19H,1-9H2
InChIKeyNWMGBAGLHFHFGC-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.08
Rot. Bonds5

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

1-[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-(1,3-thiazol-4-yl)ethanone (PubChem CID 156605318) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-(1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-(1,3-thiazol-4-yl)ethanone
PubChem CID156605318
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name1-[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-(1,3-thiazol-4-yl)ethanone
SMILESO=C(Cc1cscn1)N1CC(CO)C(CN2CCOCC2)C1
InChIInChI=1S/C15H23N3O3S/c19-9-13-8-18(15(20)5-14-10-22-11-16-14)7-12(13)6-17-1-3-21-4-2-17/h10-13,19H,1-9H2
InChIKeyNWMGBAGLHFHFGC-UHFFFAOYSA-N
XLogP0.08
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-(1,3-thiazol-4-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

[(3S,4S)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1,3-oxazol-4-yl)methanone
CID 133127339
2-(2-fluorophenyl)-1-[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 78085563
1-[(3S,4S)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 133139254
3-(3-chloro-1,2-oxazol-5-yl)-1-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 72849128
[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 70717193
1-[(3R,4R)-3-(azepan-1-ylmethyl)-4-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 72929801
1-[2-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 72863684
1-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-indazol-2-ylethanone
CID 70716665
3-(3-fluorophenyl)-1-[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 70721262
[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 156603607
3-(furan-2-yl)-1-[(3S,4S)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 133131291
(4-chlorophenyl)-[(3S,4S)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 133134656

Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-(1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-(1,3-thiazol-4-yl)ethanone (CID 156605318) is 1-[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-(1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-(1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-(1,3-thiazol-4-yl)ethanone is O=C(Cc1cscn1)N1CC(CO)C(CN2CCOCC2)C1.
What is the InChIKey of 1-[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-(1,3-thiazol-4-yl)ethanone?
The InChIKey is NWMGBAGLHFHFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c19-9-13-8-18(15(20)5-14-10-22-11-16-14)7-12(13)6-17-1-3-21-4-2-17/h10-13,19H,1-9H2.
What are the key properties of 1-[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-(1,3-thiazol-4-yl)ethanone?
1-[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-(1,3-thiazol-4-yl)ethanone has a molecular weight of 325.43 g/mol, XLogP of 0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-(1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 156605318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).