N'-methyl-N'-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-N-pyridin-3-yloxamide

C17H22N4O2S — CID 99622274

IUPACN'-methyl-N'-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-N-pyridin-3-yloxamide
SMILESCc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)C(=O)Nc1cccnc1
InChIInChI=1S/C17H22N4O2S/c1-10(2)16-19-11(3)14(24-16)12(4)21(5)17(23)15(22)20-13-7-6-8-18-9-13/h6-10,12H,1-5H3,(H,20,22)/t12-/m1/s1
InChIKeyVGIZGRYBXLRTLR-GFCCVEGCSA-N
MW346.46 g/mol
LogP3.13
Rot. Bonds4

About N'-methyl-N'-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-N-pyridin-3-yloxamide

N'-methyl-N'-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-N-pyridin-3-yloxamide (PubChem CID 99622274) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N'-methyl-N'-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-N-pyridin-3-yloxamide.

Molecular Properties

Compound NameN'-methyl-N'-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-N-pyridin-3-yloxamide
PubChem CID99622274
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN'-methyl-N'-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-N-pyridin-3-yloxamide
SMILESCc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)C(=O)Nc1cccnc1
InChIInChI=1S/C17H22N4O2S/c1-10(2)16-19-11(3)14(24-16)12(4)21(5)17(23)15(22)20-13-7-6-8-18-9-13/h6-10,12H,1-5H3,(H,20,22)/t12-/m1/s1
InChIKeyVGIZGRYBXLRTLR-GFCCVEGCSA-N
XLogP3.13
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 53.13
H-Bond Donors ≤ 51
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'-methyl-N'-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-N-pyridin-3-yloxamide?
The IUPAC name of N'-methyl-N'-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-N-pyridin-3-yloxamide (CID 99622274) is N'-methyl-N'-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-N-pyridin-3-yloxamide.
What is the SMILES notation for N'-methyl-N'-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-N-pyridin-3-yloxamide?
The canonical SMILES for N'-methyl-N'-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-N-pyridin-3-yloxamide is Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)C(=O)Nc1cccnc1.
What is the InChIKey of N'-methyl-N'-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-N-pyridin-3-yloxamide?
The InChIKey is VGIZGRYBXLRTLR-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-10(2)16-19-11(3)14(24-16)12(4)21(5)17(23)15(22)20-13-7-6-8-18-9-13/h6-10,12H,1-5H3,(H,20,22)/t12-/m1/s1.
What are the key properties of N'-methyl-N'-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-N-pyridin-3-yloxamide?
N'-methyl-N'-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-N-pyridin-3-yloxamide has a molecular weight of 346.46 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-N-pyridin-3-yloxamide is sourced from PubChem (CID 99622274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).