(3R)-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)-4-(thiophen-2-ylmethyl)morpholine

C16H21N3OS2 — CID 97484918

IUPAC(3R)-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)-4-(thiophen-2-ylmethyl)morpholine
SMILESc1csc(CN2CCOC[C@H]2c2csc(N3CCCC3)n2)c1
InChIInChI=1S/C16H21N3OS2/c1-2-6-18(5-1)16-17-14(12-22-16)15-11-20-8-7-19(15)10-13-4-3-9-21-13/h3-4,9,12,15H,1-2,5-8,10-11H2/t15-/m0/s1
InChIKeyCUEUIVSCQAXBAP-HNNXBMFYSA-N
MW335.50 g/mol
LogP3.38
Rot. Bonds4

About (3R)-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)-4-(thiophen-2-ylmethyl)morpholine

(3R)-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)-4-(thiophen-2-ylmethyl)morpholine (PubChem CID 97484918) has the molecular formula C16H21N3OS2 and a molecular weight of 335.50 g/mol. Its IUPAC name is (3R)-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)-4-(thiophen-2-ylmethyl)morpholine.

Molecular Properties

Compound Name(3R)-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)-4-(thiophen-2-ylmethyl)morpholine
PubChem CID97484918
Molecular FormulaC16H21N3OS2
Molecular Weight335.50 g/mol
Exact Mass335.11
IUPAC Name(3R)-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)-4-(thiophen-2-ylmethyl)morpholine
SMILESc1csc(CN2CCOC[C@H]2c2csc(N3CCCC3)n2)c1
InChIInChI=1S/C16H21N3OS2/c1-2-6-18(5-1)16-17-14(12-22-16)15-11-20-8-7-19(15)10-13-4-3-9-21-13/h3-4,9,12,15H,1-2,5-8,10-11H2/t15-/m0/s1
InChIKeyCUEUIVSCQAXBAP-HNNXBMFYSA-N
XLogP3.38
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)-4-(thiophen-2-ylmethyl)morpholine?
The IUPAC name of (3R)-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)-4-(thiophen-2-ylmethyl)morpholine (CID 97484918) is (3R)-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)-4-(thiophen-2-ylmethyl)morpholine.
What is the SMILES notation for (3R)-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)-4-(thiophen-2-ylmethyl)morpholine?
The canonical SMILES for (3R)-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)-4-(thiophen-2-ylmethyl)morpholine is c1csc(CN2CCOC[C@H]2c2csc(N3CCCC3)n2)c1.
What is the InChIKey of (3R)-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)-4-(thiophen-2-ylmethyl)morpholine?
The InChIKey is CUEUIVSCQAXBAP-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H21N3OS2/c1-2-6-18(5-1)16-17-14(12-22-16)15-11-20-8-7-19(15)10-13-4-3-9-21-13/h3-4,9,12,15H,1-2,5-8,10-11H2/t15-/m0/s1.
What are the key properties of (3R)-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)-4-(thiophen-2-ylmethyl)morpholine?
(3R)-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)-4-(thiophen-2-ylmethyl)morpholine has a molecular weight of 335.50 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)-4-(thiophen-2-ylmethyl)morpholine is sourced from PubChem (CID 97484918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).