(2R)-4-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N,N,2-trimethylmorpholine-2-carboxamide

C16H28N4O2S — CID 92632641

IUPAC(2R)-4-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N,N,2-trimethylmorpholine-2-carboxamide
SMILESCCN(CC)c1ncc(CN2CCO[C@@](C)(C(=O)N(C)C)C2)s1
InChIInChI=1S/C16H28N4O2S/c1-6-20(7-2)15-17-10-13(23-15)11-19-8-9-22-16(3,12-19)14(21)18(4)5/h10H,6-9,11-12H2,1-5H3/t16-/m1/s1
InChIKeyHWCFRINJIBOCIR-MRXNPFEDSA-N
MW340.49 g/mol
LogP1.67
Rot. Bonds6

About (2R)-4-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N,N,2-trimethylmorpholine-2-carboxamide

(2R)-4-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N,N,2-trimethylmorpholine-2-carboxamide (PubChem CID 92632641) has the molecular formula C16H28N4O2S and a molecular weight of 340.49 g/mol. Its IUPAC name is (2R)-4-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N,N,2-trimethylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N,N,2-trimethylmorpholine-2-carboxamide
PubChem CID92632641
Molecular FormulaC16H28N4O2S
Molecular Weight340.49 g/mol
Exact Mass340.19
IUPAC Name(2R)-4-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N,N,2-trimethylmorpholine-2-carboxamide
SMILESCCN(CC)c1ncc(CN2CCO[C@@](C)(C(=O)N(C)C)C2)s1
InChIInChI=1S/C16H28N4O2S/c1-6-20(7-2)15-17-10-13(23-15)11-19-8-9-22-16(3,12-19)14(21)18(4)5/h10H,6-9,11-12H2,1-5H3/t16-/m1/s1
InChIKeyHWCFRINJIBOCIR-MRXNPFEDSA-N
XLogP1.67
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N,N,2-trimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-2-carboxamide
CID 124946658
(2R)-N,N,2-trimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide
CID 95845936
(2R)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-N,N,2-trimethylmorpholine-2-carboxamide
CID 124982186
5-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 120780538
(2S)-N,N,2-trimethyl-4-[(2-methylpyrimidin-4-yl)methyl]morpholine-2-carboxamide
CID 95839658
(2S)-N,N,2-trimethyl-4-[(1-propylimidazol-2-yl)methyl]morpholine-2-carboxamide
CID 124948546
N,N,2-trimethyl-4-(quinolin-8-ylmethyl)morpholine-2-carboxamide
CID 127247739
(2R)-N,N,2-trimethyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide
CID 124948384
2-[4-[[(2S)-2-(dimethylcarbamoyl)-2-methylmorpholin-4-yl]methyl]phenoxy]acetic acid
CID 125020894
(2R)-N,N,2-trimethyl-4-(2-phenylethyl)morpholine-2-carboxamide
CID 95839205
N,N,2-trimethyl-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]morpholine-2-carboxamide
CID 110268368
(2R)-4-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-N,N,2-trimethylmorpholine-2-carboxamide
CID 124961584

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N,N,2-trimethylmorpholine-2-carboxamide?
The IUPAC name of (2R)-4-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N,N,2-trimethylmorpholine-2-carboxamide (CID 92632641) is (2R)-4-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N,N,2-trimethylmorpholine-2-carboxamide.
What is the SMILES notation for (2R)-4-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N,N,2-trimethylmorpholine-2-carboxamide?
The canonical SMILES for (2R)-4-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N,N,2-trimethylmorpholine-2-carboxamide is CCN(CC)c1ncc(CN2CCO[C@@](C)(C(=O)N(C)C)C2)s1.
What is the InChIKey of (2R)-4-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N,N,2-trimethylmorpholine-2-carboxamide?
The InChIKey is HWCFRINJIBOCIR-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H28N4O2S/c1-6-20(7-2)15-17-10-13(23-15)11-19-8-9-22-16(3,12-19)14(21)18(4)5/h10H,6-9,11-12H2,1-5H3/t16-/m1/s1.
What are the key properties of (2R)-4-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N,N,2-trimethylmorpholine-2-carboxamide?
(2R)-4-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N,N,2-trimethylmorpholine-2-carboxamide has a molecular weight of 340.49 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N,N,2-trimethylmorpholine-2-carboxamide is sourced from PubChem (CID 92632641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).