4-[4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butyl]morpholine

C15H25N3OS — CID 28729772

IUPAC4-[4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butyl]morpholine
SMILESc1csc([C@H]2CCCN2CCCCN2CCOCC2)n1
InChIInChI=1S/C15H25N3OS/c1(6-17-9-11-19-12-10-17)2-7-18-8-3-4-14(18)15-16-5-13-20-15/h5,13-14H,1-4,6-12H2/t14-/m1/s1
InChIKeyYIUXWBOHSFYOPJ-CQSZACIVSA-N
MW295.45 g/mol
LogP2.39
Rot. Bonds6

About 4-[4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butyl]morpholine

4-[4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butyl]morpholine (PubChem CID 28729772) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 4-[4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butyl]morpholine.

Molecular Properties

Compound Name4-[4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butyl]morpholine
PubChem CID28729772
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name4-[4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butyl]morpholine
SMILESc1csc([C@H]2CCCN2CCCCN2CCOCC2)n1
InChIInChI=1S/C15H25N3OS/c1(6-17-9-11-19-12-10-17)2-7-18-8-3-4-14(18)15-16-5-13-20-15/h5,13-14H,1-4,6-12H2/t14-/m1/s1
InChIKeyYIUXWBOHSFYOPJ-CQSZACIVSA-N
XLogP2.39
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118745959
(3S*,4S*)-4-piperidin-1-yl-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-ol
CID 74245068
2-Methyl-4-[2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]morpholine
CID 121537085
2-[[(2R)-1-methylpiperidin-2-yl]methoxy]-1,3-thiazole
CID 164631730
4-[4-[2-(1,3-Thiazol-2-yl)pyrrolidin-1-yl]butyl]morpholine;bis(2,2,2-trifluoroacetic acid)
CID 154885131
N-(2,2-dimethyl-3-morpholin-4-ylpropyl)-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine
CID 77091916
(4aS,7aR)-4-propan-2-yl-6-(1,3-thiazol-2-ylmethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 124803650
2-[(4aS,7aR)-6-(1,3-thiazol-2-ylmethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-4-yl]-N,N-dimethylethanamine
CID 124806736
4-[3-(1,3-Thiazol-2-yl)pentan-3-yl]morpholine
CID 3378838
Morpholine, 4-[1-(2-thiazolyl)cycloheptyl]-
CID 3725477
Morpholine, 4-[1-propyl-1-(2-thiazolyl)butyl]-
CID 3784455
Morpholine, 4-[1-(2-thiazolyl)cyclohexyl]-
CID 3816979

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butyl]morpholine?
The IUPAC name of 4-[4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butyl]morpholine (CID 28729772) is 4-[4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butyl]morpholine.
What is the SMILES notation for 4-[4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butyl]morpholine?
The canonical SMILES for 4-[4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butyl]morpholine is c1csc([C@H]2CCCN2CCCCN2CCOCC2)n1.
What is the InChIKey of 4-[4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butyl]morpholine?
The InChIKey is YIUXWBOHSFYOPJ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H25N3OS/c1(6-17-9-11-19-12-10-17)2-7-18-8-3-4-14(18)15-16-5-13-20-15/h5,13-14H,1-4,6-12H2/t14-/m1/s1.
What are the key properties of 4-[4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butyl]morpholine?
4-[4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butyl]morpholine has a molecular weight of 295.45 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butyl]morpholine is sourced from PubChem (CID 28729772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).