2-methyl-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]propanamide

C17H16N4O2S — CID 2993852

IUPAC2-methyl-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]propanamide
SMILESCC(C)C(=O)NC(=S)Nc1ccc(-c2nc3ncccc3o2)cc1
InChIInChI=1S/C17H16N4O2S/c1-10(2)15(22)21-17(24)19-12-7-5-11(6-8-12)16-20-14-13(23-16)4-3-9-18-14/h3-10H,1-2H3,(H2,19,21,22,24)
InChIKeyHQMUJARSCSJPEA-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.36
Rot. Bonds3

About 2-methyl-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]propanamide

2-methyl-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]propanamide (PubChem CID 2993852) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 2-methyl-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]propanamide
PubChem CID2993852
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name2-methyl-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]propanamide
SMILESCC(C)C(=O)NC(=S)Nc1ccc(-c2nc3ncccc3o2)cc1
InChIInChI=1S/C17H16N4O2S/c1-10(2)15(22)21-17(24)19-12-7-5-11(6-8-12)16-20-14-13(23-16)4-3-9-18-14/h3-10H,1-2H3,(H2,19,21,22,24)
InChIKeyHQMUJARSCSJPEA-UHFFFAOYSA-N
XLogP3.36
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-methylpropanamide
CID 17099655
3,5-dimethyl-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide
CID 19631155
3,5-dimethoxy-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide
CID 1207670
3-fluoro-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide
CID 2279563
2-methyl-3-nitro-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide
CID 2905162
2-methyl-N-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]propanamide
CID 17099656
N-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]-2,2-diphenylacetamide
CID 1048116
2-methyl-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]propanamide
CID 6457333
N-[[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]acetamide
CID 6457260
N-[3-chloro-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-methylpropanamide
CID 17219378
2-(2,4-dichlorophenoxy)-N-[[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]propanamide
CID 2953610
N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxyacetamide
CID 712713

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]propanamide?
The IUPAC name of 2-methyl-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]propanamide (CID 2993852) is 2-methyl-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]propanamide.
What is the SMILES notation for 2-methyl-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]propanamide?
The canonical SMILES for 2-methyl-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]propanamide is CC(C)C(=O)NC(=S)Nc1ccc(-c2nc3ncccc3o2)cc1.
What is the InChIKey of 2-methyl-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]propanamide?
The InChIKey is HQMUJARSCSJPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-10(2)15(22)21-17(24)19-12-7-5-11(6-8-12)16-20-14-13(23-16)4-3-9-18-14/h3-10H,1-2H3,(H2,19,21,22,24).
What are the key properties of 2-methyl-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]propanamide?
2-methyl-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]propanamide has a molecular weight of 340.41 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]propanamide is sourced from PubChem (CID 2993852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).