4-[5-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine

C19H25N3O2S — CID 92626570

IUPAC4-[5-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine
SMILESCOc1cccc([C@H]2CCCN2Cc2cnc(N3CCOCC3)s2)c1
InChIInChI=1S/C19H25N3O2S/c1-23-16-5-2-4-15(12-16)18-6-3-7-22(18)14-17-13-20-19(25-17)21-8-10-24-11-9-21/h2,4-5,12-13,18H,3,6-11,14H2,1H3/t18-/m1/s1
InChIKeyDSRUWMSJEAWZMP-GOSISDBHSA-N
MW359.50 g/mol
LogP3.33
Rot. Bonds5

About 4-[5-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine

4-[5-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine (PubChem CID 92626570) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 4-[5-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine
PubChem CID92626570
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name4-[5-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine
SMILESCOc1cccc([C@H]2CCCN2Cc2cnc(N3CCOCC3)s2)c1
InChIInChI=1S/C19H25N3O2S/c1-23-16-5-2-4-15(12-16)18-6-3-7-22(18)14-17-13-20-19(25-17)21-8-10-24-11-9-21/h2,4-5,12-13,18H,3,6-11,14H2,1H3/t18-/m1/s1
InChIKeyDSRUWMSJEAWZMP-GOSISDBHSA-N
XLogP3.33
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine
CID 95154091
4-[5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine
CID 74231053
5-[5-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]-1H-pyrazole
CID 56912082
3-[5-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]thiophen-3-yl]prop-2-yn-1-ol
CID 131933909
2-(furan-2-yl)-5-[[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]pyrimidine
CID 95869290
2-[[2-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
CID 118771820
1-(cyclopropylmethyl)-2-(3-methoxyphenyl)pyrrolidine
CID 23361278
5-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897748
4-ethyl-3-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,2,4-triazole
CID 97211558
4-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1-propylpyrazole
CID 99946184
4-[5-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-yl]morpholine
CID 77091734
3-cyclopropyl-5-[[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1H-pyrazole
CID 28634815

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[5-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine (CID 92626570) is 4-[5-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[5-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[5-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine is COc1cccc([C@H]2CCCN2Cc2cnc(N3CCOCC3)s2)c1.
What is the InChIKey of 4-[5-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine?
The InChIKey is DSRUWMSJEAWZMP-GOSISDBHSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-23-16-5-2-4-15(12-16)18-6-3-7-22(18)14-17-13-20-19(25-17)21-8-10-24-11-9-21/h2,4-5,12-13,18H,3,6-11,14H2,1H3/t18-/m1/s1.
What are the key properties of 4-[5-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine?
4-[5-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine has a molecular weight of 359.50 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 92626570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).