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

C12H19N3O2S — CID 94052563

IUPAC(3R)-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide
SMILESCc1nc(CCNC(=O)N2CCOC[C@H]2C)cs1
InChIInChI=1S/C12H19N3O2S/c1-9-7-17-6-5-15(9)12(16)13-4-3-11-8-18-10(2)14-11/h8-9H,3-7H2,1-2H3,(H,13,16)/t9-/m1/s1
InChIKeyZLKFKNFXCPAXPN-SECBINFHSA-N
MW269.37 g/mol
LogP1.42
Rot. Bonds3

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

(3R)-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide (PubChem CID 94052563) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is (3R)-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(3R)-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide
PubChem CID94052563
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name(3R)-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide
SMILESCc1nc(CCNC(=O)N2CCOC[C@H]2C)cs1
InChIInChI=1S/C12H19N3O2S/c1-9-7-17-6-5-15(9)12(16)13-4-3-11-8-18-10(2)14-11/h8-9H,3-7H2,1-2H3,(H,13,16)/t9-/m1/s1
InChIKeyZLKFKNFXCPAXPN-SECBINFHSA-N
XLogP1.42
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]morpholine-4-carboxamide
CID 71859638
3-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 103994759
(2R)-2-ethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide
CID 97097729
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(4-morpholin-4-ylphenyl)acetamide
CID 110620258
3-[(3-methylmorpholine-4-carbonyl)amino]propanoic acid
CID 61209883
1-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 106038391
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 77059141
4-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide
CID 114140510
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 47071734
1-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 94029050
2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 103790265
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]morpholine-4-carboxamide
CID 110317363

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide?
The IUPAC name of (3R)-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide (CID 94052563) is (3R)-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide.
What is the SMILES notation for (3R)-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide?
The canonical SMILES for (3R)-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide is Cc1nc(CCNC(=O)N2CCOC[C@H]2C)cs1.
What is the InChIKey of (3R)-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide?
The InChIKey is ZLKFKNFXCPAXPN-SECBINFHSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-9-7-17-6-5-15(9)12(16)13-4-3-11-8-18-10(2)14-11/h8-9H,3-7H2,1-2H3,(H,13,16)/t9-/m1/s1.
What are the key properties of (3R)-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide?
(3R)-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 94052563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).