(2R,3S)-2-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide

C15H24N4O2S — CID 120941910

IUPAC(2R,3S)-2-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCCc1csc(N2CCCC2)n1
InChIInChI=1S/C15H24N4O2S/c1-11-13(16-6-9-21-11)14(20)17-5-4-12-10-22-15(18-12)19-7-2-3-8-19/h10-11,13,16H,2-9H2,1H3,(H,17,20)/t11-,13+/m1/s1
InChIKeyYDIUVCQWFBZPSF-YPMHNXCESA-N
MW324.45 g/mol
LogP0.78
Rot. Bonds5

About (2R,3S)-2-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide

(2R,3S)-2-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide (PubChem CID 120941910) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide
PubChem CID120941910
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name(2R,3S)-2-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCCc1csc(N2CCCC2)n1
InChIInChI=1S/C15H24N4O2S/c1-11-13(16-6-9-21-11)14(20)17-5-4-12-10-22-15(18-12)19-7-2-3-8-19/h10-11,13,16H,2-9H2,1H3,(H,17,20)/t11-,13+/m1/s1
InChIKeyYDIUVCQWFBZPSF-YPMHNXCESA-N
XLogP0.78
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S)-2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 120918381
N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]oxolane-2-carboxamide
CID 110398155
N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclobutanecarboxamide
CID 110398101
2,2-dimethyl-N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110398156
methyl N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]carbamate
CID 110398213
(2S,5R)-5-(aminomethyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]oxolane-2-carboxamide
CID 120800688
(2S)-2-amino-3,3-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butanamide
CID 119888192
4-amino-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pentanamide
CID 120565652
(2R,3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120940497
(2R,3S)-N-[2-(2,6-difluorophenyl)ethyl]-2-methylmorpholine-3-carboxamide
CID 120924153
3,4-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 110398045
3-piperidin-3-yl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride
CID 119888187

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide (CID 120941910) is (2R,3S)-2-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)NCCc1csc(N2CCCC2)n1.
What is the InChIKey of (2R,3S)-2-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide?
The InChIKey is YDIUVCQWFBZPSF-YPMHNXCESA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-11-13(16-6-9-21-11)14(20)17-5-4-12-10-22-15(18-12)19-7-2-3-8-19/h10-11,13,16H,2-9H2,1H3,(H,17,20)/t11-,13+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide?
(2R,3S)-2-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide is sourced from PubChem (CID 120941910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).