4-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]morpholine

C18H24N4OS — CID 97470931

IUPAC4-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]morpholine
SMILESc1cncc(C[C@H]2[C@H](N3CCOCC3)CCN2Cc2nccs2)c1
InChIInChI=1S/C18H24N4OS/c1-2-15(13-19-4-1)12-17-16(21-7-9-23-10-8-21)3-6-22(17)14-18-20-5-11-24-18/h1-2,4-5,11,13,16-17H,3,6-10,12,14H2/t16-,17+/m1/s1
InChIKeyJBKXFKNXRKFYNR-SJORKVTESA-N
MW344.48 g/mol
LogP2.06
Rot. Bonds5

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

4-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]morpholine (PubChem CID 97470931) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 4-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]morpholine
PubChem CID97470931
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name4-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]morpholine
SMILESc1cncc(C[C@H]2[C@H](N3CCOCC3)CCN2Cc2nccs2)c1
InChIInChI=1S/C18H24N4OS/c1-2-15(13-19-4-1)12-17-16(21-7-9-23-10-8-21)3-6-22(17)14-18-20-5-11-24-18/h1-2,4-5,11,13,16-17H,3,6-10,12,14H2/t16-,17+/m1/s1
InChIKeyJBKXFKNXRKFYNR-SJORKVTESA-N
XLogP2.06
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]morpholine?
The IUPAC name of 4-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]morpholine (CID 97470931) is 4-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]morpholine.
What is the SMILES notation for 4-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]morpholine?
The canonical SMILES for 4-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]morpholine is c1cncc(C[C@H]2[C@H](N3CCOCC3)CCN2Cc2nccs2)c1.
What is the InChIKey of 4-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]morpholine?
The InChIKey is JBKXFKNXRKFYNR-SJORKVTESA-N. The full InChI is InChI=1S/C18H24N4OS/c1-2-15(13-19-4-1)12-17-16(21-7-9-23-10-8-21)3-6-22(17)14-18-20-5-11-24-18/h1-2,4-5,11,13,16-17H,3,6-10,12,14H2/t16-,17+/m1/s1.
What are the key properties of 4-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]morpholine?
4-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]morpholine has a molecular weight of 344.48 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]morpholine is sourced from PubChem (CID 97470931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).