4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide

C11H17N3O2S — CID 110696091

IUPAC4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide
SMILESCc1csc(C(=O)NCCN2CCOCC2)n1
InChIInChI=1S/C11H17N3O2S/c1-9-8-17-11(13-9)10(15)12-2-3-14-4-6-16-7-5-14/h8H,2-7H2,1H3,(H,12,15)
InChIKeyGMRNYLQBXAXYSB-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.51
Rot. Bonds4

About 4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide

4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide (PubChem CID 110696091) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide
PubChem CID110696091
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide
SMILESCc1csc(C(=O)NCCN2CCOCC2)n1
InChIInChI=1S/C11H17N3O2S/c1-9-8-17-11(13-9)10(15)12-2-3-14-4-6-16-7-5-14/h8H,2-7H2,1H3,(H,12,15)
InChIKeyGMRNYLQBXAXYSB-UHFFFAOYSA-N
XLogP0.51
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide (CID 110696091) is 4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide is Cc1csc(C(=O)NCCN2CCOCC2)n1.
What is the InChIKey of 4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide?
The InChIKey is GMRNYLQBXAXYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-9-8-17-11(13-9)10(15)12-2-3-14-4-6-16-7-5-14/h8H,2-7H2,1H3,(H,12,15).
What are the key properties of 4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide?
4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 110696091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).