N-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide

C9H13N3O2S — CID 23797136

IUPACN-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
SMILESCc1csc(NC(=O)N2CCOCC2)n1
InChIInChI=1S/C9H13N3O2S/c1-7-6-15-8(10-7)11-9(13)12-2-4-14-5-3-12/h6H,2-5H2,1H3,(H,10,11,13)
InChIKeyVERDQZZIIJGRST-UHFFFAOYSA-N
MW227.29 g/mol
LogP1.32
Rot. Bonds1

About N-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide

N-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide (PubChem CID 23797136) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
PubChem CID23797136
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
SMILESCc1csc(NC(=O)N2CCOCC2)n1
InChIInChI=1S/C9H13N3O2S/c1-7-6-15-8(10-7)11-9(13)12-2-4-14-5-3-12/h6H,2-5H2,1H3,(H,10,11,13)
InChIKeyVERDQZZIIJGRST-UHFFFAOYSA-N
XLogP1.32
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide (CID 23797136) is N-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide is Cc1csc(NC(=O)N2CCOCC2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide?
The InChIKey is VERDQZZIIJGRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-7-6-15-8(10-7)11-9(13)12-2-4-14-5-3-12/h6H,2-5H2,1H3,(H,10,11,13).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide?
N-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide has a molecular weight of 227.29 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide is sourced from PubChem (CID 23797136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).