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

C13H21N3O2S — CID 47048724

IUPAC2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide
SMILESCc1csc(CCNC(=O)N2CCOC(C)(C)C2)n1
InChIInChI=1S/C13H21N3O2S/c1-10-8-19-11(15-10)4-5-14-12(17)16-6-7-18-13(2,3)9-16/h8H,4-7,9H2,1-3H3,(H,14,17)
InChIKeySKJFTLYSVPZACH-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.81
Rot. Bonds3

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

2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide (PubChem CID 47048724) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide
PubChem CID47048724
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide
SMILESCc1csc(CCNC(=O)N2CCOC(C)(C)C2)n1
InChIInChI=1S/C13H21N3O2S/c1-10-8-19-11(15-10)4-5-14-12(17)16-6-7-18-13(2,3)9-16/h8H,4-7,9H2,1-3H3,(H,14,17)
InChIKeySKJFTLYSVPZACH-UHFFFAOYSA-N
XLogP1.81
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide?
The IUPAC name of 2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide (CID 47048724) is 2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide is Cc1csc(CCNC(=O)N2CCOC(C)(C)C2)n1.
What is the InChIKey of 2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide?
The InChIKey is SKJFTLYSVPZACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-10-8-19-11(15-10)4-5-14-12(17)16-6-7-18-13(2,3)9-16/h8H,4-7,9H2,1-3H3,(H,14,17).
What are the key properties of 2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide?
2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 47048724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).