2-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide

C11H13N3O2S — CID 71789676

IUPAC2-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(CCNC(=O)c2csc(C)n2)on1
InChIInChI=1S/C11H13N3O2S/c1-7-5-9(16-14-7)3-4-12-11(15)10-6-17-8(2)13-10/h5-6H,3-4H2,1-2H3,(H,12,15)
InChIKeyYBSJFRZPYDJVBO-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.72
Rot. Bonds4

About 2-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide

2-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 71789676) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID71789676
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name2-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(CCNC(=O)c2csc(C)n2)on1
InChIInChI=1S/C11H13N3O2S/c1-7-5-9(16-14-7)3-4-12-11(15)10-6-17-8(2)13-10/h5-6H,3-4H2,1-2H3,(H,12,15)
InChIKeyYBSJFRZPYDJVBO-UHFFFAOYSA-N
XLogP1.72
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide (CID 71789676) is 2-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide is Cc1cc(CCNC(=O)c2csc(C)n2)on1.
What is the InChIKey of 2-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is YBSJFRZPYDJVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-7-5-9(16-14-7)3-4-12-11(15)10-6-17-8(2)13-10/h5-6H,3-4H2,1-2H3,(H,12,15).
What are the key properties of 2-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide?
2-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 251.31 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71789676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).