N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxamide

C16H18N6O2S — CID 75443566

IUPACN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxamide
SMILESCC(C)(C)c1nc(CNC(=O)C(=O)Nc2nnc3ccccn23)cs1
InChIInChI=1S/C16H18N6O2S/c1-16(2,3)14-18-10(9-25-14)8-17-12(23)13(24)19-15-21-20-11-6-4-5-7-22(11)15/h4-7,9H,8H2,1-3H3,(H,17,23)(H,19,21,24)
InChIKeyVMRAQYHKMMBHDC-UHFFFAOYSA-N
MW358.43 g/mol
LogP1.74
Rot. Bonds3

About N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxamide

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxamide (PubChem CID 75443566) has the molecular formula C16H18N6O2S and a molecular weight of 358.43 g/mol. Its IUPAC name is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxamide.

Molecular Properties

Compound NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxamide
PubChem CID75443566
Molecular FormulaC16H18N6O2S
Molecular Weight358.43 g/mol
Exact Mass358.12
IUPAC NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxamide
SMILESCC(C)(C)c1nc(CNC(=O)C(=O)Nc2nnc3ccccn23)cs1
InChIInChI=1S/C16H18N6O2S/c1-16(2,3)14-18-10(9-25-14)8-17-12(23)13(24)19-15-21-20-11-6-4-5-7-22(11)15/h4-7,9H,8H2,1-3H3,(H,17,23)(H,19,21,24)
InChIKeyVMRAQYHKMMBHDC-UHFFFAOYSA-N
XLogP1.74
TPSA101.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111014058
ethyl 2-oxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)acetate
CID 110471107
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-chloroacetamide
CID 146085974
N-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide
CID 115592184
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylmethanamine
CID 115586423
2,3-dimethyl-4-oxo-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)but-2-enoic acid
CID 76992625
3-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
CID 38999513
1-benzyl-1-(2-hydroxy-2-methylpropyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
CID 84598478
2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-N-methylacetamide
CID 47285247
2-(2-benzyl-1,3-thiazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 39933181
2-ethoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide
CID 53204392
N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)naphthalene-1-carboxamide
CID 47026097

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxamide?
The IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxamide (CID 75443566) is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxamide.
What is the SMILES notation for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxamide?
The canonical SMILES for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxamide is CC(C)(C)c1nc(CNC(=O)C(=O)Nc2nnc3ccccn23)cs1.
What is the InChIKey of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxamide?
The InChIKey is VMRAQYHKMMBHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2S/c1-16(2,3)14-18-10(9-25-14)8-17-12(23)13(24)19-15-21-20-11-6-4-5-7-22(11)15/h4-7,9H,8H2,1-3H3,(H,17,23)(H,19,21,24).
What are the key properties of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxamide?
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxamide has a molecular weight of 358.43 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxamide is sourced from PubChem (CID 75443566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).