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

C11H14N6O2S — CID 64512775

IUPAC2-acetamido-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)N(C)Cc2n[nH]c(C)n2)cs1
InChIInChI=1S/C11H14N6O2S/c1-6-12-9(16-15-6)4-17(3)10(19)8-5-20-11(14-8)13-7(2)18/h5H,4H2,1-3H3,(H,12,15,16)(H,13,14,18)
InChIKeyDNRRONXGZJWWKZ-UHFFFAOYSA-N
MW294.34 g/mol
LogP0.80
Rot. Bonds4

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

2-acetamido-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 64512775) has the molecular formula C11H14N6O2S and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-acetamido-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID64512775
Molecular FormulaC11H14N6O2S
Molecular Weight294.34 g/mol
Exact Mass294.09
IUPAC Name2-acetamido-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)N(C)Cc2n[nH]c(C)n2)cs1
InChIInChI=1S/C11H14N6O2S/c1-6-12-9(16-15-6)4-17(3)10(19)8-5-20-11(14-8)13-7(2)18/h5H,4H2,1-3H3,(H,12,15,16)(H,13,14,18)
InChIKeyDNRRONXGZJWWKZ-UHFFFAOYSA-N
XLogP0.80
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-acetamido-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide (CID 64512775) is 2-acetamido-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-acetamido-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide is CC(=O)Nc1nc(C(=O)N(C)Cc2n[nH]c(C)n2)cs1.
What is the InChIKey of 2-acetamido-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is DNRRONXGZJWWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2S/c1-6-12-9(16-15-6)4-17(3)10(19)8-5-20-11(14-8)13-7(2)18/h5H,4H2,1-3H3,(H,12,15,16)(H,13,14,18).
What are the key properties of 2-acetamido-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide?
2-acetamido-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 294.34 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 64512775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).