N'-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-pyridin-3-yloxamide

C16H20N4O2S — CID 95615037

IUPACN'-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-pyridin-3-yloxamide
SMILESC[C@@H](NC(=O)C(=O)Nc1cccnc1)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C16H20N4O2S/c1-10(15-20-12(9-23-15)16(2,3)4)18-13(21)14(22)19-11-6-5-7-17-8-11/h5-10H,1-4H3,(H,18,21)(H,19,22)/t10-/m1/s1
InChIKeyJEWPGLPANDCDQH-SNVBAGLBSA-N
MW332.43 g/mol
LogP2.65
Rot. Bonds3

About N'-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-pyridin-3-yloxamide

N'-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-pyridin-3-yloxamide (PubChem CID 95615037) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N'-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-pyridin-3-yloxamide.

Molecular Properties

Compound NameN'-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-pyridin-3-yloxamide
PubChem CID95615037
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN'-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-pyridin-3-yloxamide
SMILESC[C@@H](NC(=O)C(=O)Nc1cccnc1)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C16H20N4O2S/c1-10(15-20-12(9-23-15)16(2,3)4)18-13(21)14(22)19-11-6-5-7-17-8-11/h5-10H,1-4H3,(H,18,21)(H,19,22)/t10-/m1/s1
InChIKeyJEWPGLPANDCDQH-SNVBAGLBSA-N
XLogP2.65
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-pyridin-3-yloxamide?
The IUPAC name of N'-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-pyridin-3-yloxamide (CID 95615037) is N'-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-pyridin-3-yloxamide.
What is the SMILES notation for N'-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-pyridin-3-yloxamide?
The canonical SMILES for N'-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-pyridin-3-yloxamide is C[C@@H](NC(=O)C(=O)Nc1cccnc1)c1nc(C(C)(C)C)cs1.
What is the InChIKey of N'-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-pyridin-3-yloxamide?
The InChIKey is JEWPGLPANDCDQH-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-10(15-20-12(9-23-15)16(2,3)4)18-13(21)14(22)19-11-6-5-7-17-8-11/h5-10H,1-4H3,(H,18,21)(H,19,22)/t10-/m1/s1.
What are the key properties of N'-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-pyridin-3-yloxamide?
N'-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-pyridin-3-yloxamide has a molecular weight of 332.43 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-N-pyridin-3-yloxamide is sourced from PubChem (CID 95615037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).