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

C12H14N4O3S — CID 38303726

IUPAC2-acetamido-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)N(C)Cc2cc(C)on2)cs1
InChIInChI=1S/C12H14N4O3S/c1-7-4-9(15-19-7)5-16(3)11(18)10-6-20-12(14-10)13-8(2)17/h4,6H,5H2,1-3H3,(H,13,14,17)
InChIKeyIZVYVMLLVLHCMI-UHFFFAOYSA-N
MW294.34 g/mol
LogP1.67
Rot. Bonds4

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

2-acetamido-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 38303726) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-acetamido-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID38303726
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name2-acetamido-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)N(C)Cc2cc(C)on2)cs1
InChIInChI=1S/C12H14N4O3S/c1-7-4-9(15-19-7)5-16(3)11(18)10-6-20-12(14-10)13-8(2)17/h4,6H,5H2,1-3H3,(H,13,14,17)
InChIKeyIZVYVMLLVLHCMI-UHFFFAOYSA-N
XLogP1.67
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-acetamido-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-4-carboxamide (CID 38303726) is 2-acetamido-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-acetamido-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-4-carboxamide is CC(=O)Nc1nc(C(=O)N(C)Cc2cc(C)on2)cs1.
What is the InChIKey of 2-acetamido-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is IZVYVMLLVLHCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-7-4-9(15-19-7)5-16(3)11(18)10-6-20-12(14-10)13-8(2)17/h4,6H,5H2,1-3H3,(H,13,14,17).
What are the key properties of 2-acetamido-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-4-carboxamide?
2-acetamido-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 294.34 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 38303726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).