5-methyl-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2-thiazole-3-carboxamide

C13H21N3O2S — CID 126818734

IUPAC5-methyl-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2-thiazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)(C)CN2CCOCC2)ns1
InChIInChI=1S/C13H21N3O2S/c1-10-8-11(15-19-10)12(17)14-13(2,3)9-16-4-6-18-7-5-16/h8H,4-7,9H2,1-3H3,(H,14,17)
InChIKeyJRJPZNGQYZGVFC-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.29
Rot. Bonds4

About 5-methyl-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2-thiazole-3-carboxamide

5-methyl-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2-thiazole-3-carboxamide (PubChem CID 126818734) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 5-methyl-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2-thiazole-3-carboxamide
PubChem CID126818734
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name5-methyl-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2-thiazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)(C)CN2CCOCC2)ns1
InChIInChI=1S/C13H21N3O2S/c1-10-8-11(15-19-10)12(17)14-13(2,3)9-16-4-6-18-7-5-16/h8H,4-7,9H2,1-3H3,(H,14,17)
InChIKeyJRJPZNGQYZGVFC-UHFFFAOYSA-N
XLogP1.29
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2-thiazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2-thiazole-3-carboxamide (CID 126818734) is 5-methyl-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2-thiazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2-thiazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2-thiazole-3-carboxamide is Cc1cc(C(=O)NC(C)(C)CN2CCOCC2)ns1.
What is the InChIKey of 5-methyl-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2-thiazole-3-carboxamide?
The InChIKey is JRJPZNGQYZGVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-10-8-11(15-19-10)12(17)14-13(2,3)9-16-4-6-18-7-5-16/h8H,4-7,9H2,1-3H3,(H,14,17).
What are the key properties of 5-methyl-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2-thiazole-3-carboxamide?
5-methyl-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2-thiazole-3-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 126818734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).