N'-(2-fluorophenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]oxamide

C15H16FN3O2S — CID 56803026

IUPACN'-(2-fluorophenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]oxamide
SMILESCC(C)c1nc(CNC(=O)C(=O)Nc2ccccc2F)cs1
InChIInChI=1S/C15H16FN3O2S/c1-9(2)15-18-10(8-22-15)7-17-13(20)14(21)19-12-6-4-3-5-11(12)16/h3-6,8-9H,7H2,1-2H3,(H,17,20)(H,19,21)
InChIKeyFFPURNLFPBXEON-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.66
Rot. Bonds4

About N'-(2-fluorophenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]oxamide

N'-(2-fluorophenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]oxamide (PubChem CID 56803026) has the molecular formula C15H16FN3O2S and a molecular weight of 321.38 g/mol. Its IUPAC name is N'-(2-fluorophenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-(2-fluorophenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]oxamide
PubChem CID56803026
Molecular FormulaC15H16FN3O2S
Molecular Weight321.38 g/mol
Exact Mass321.09
IUPAC NameN'-(2-fluorophenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]oxamide
SMILESCC(C)c1nc(CNC(=O)C(=O)Nc2ccccc2F)cs1
InChIInChI=1S/C15H16FN3O2S/c1-9(2)15-18-10(8-22-15)7-17-13(20)14(21)19-12-6-4-3-5-11(12)16/h3-6,8-9H,7H2,1-2H3,(H,17,20)(H,19,21)
InChIKeyFFPURNLFPBXEON-UHFFFAOYSA-N
XLogP2.66
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,4-difluorophenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]oxamide
CID 56803018
2-(2-fluorophenoxy)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 110728111
2-fluoro-N-[4-[2-oxo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-yl]benzamide
CID 56557619
1-N,4-N-bis[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzene-1,4-dicarboxamide
CID 56561374
2-anilino-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56557984
methyl N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamate
CID 110728086
2-chloro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 166403785
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 110728040
N-(2-fluorophenyl)-N'-propan-2-yloxamide
CID 2291553
4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 110728056
N-(2-acetamidoethyl)-N'-(2-fluorophenyl)oxamide
CID 47226224
2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylcarbamoylamino]acetic acid
CID 145463138

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorophenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]oxamide?
The IUPAC name of N'-(2-fluorophenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]oxamide (CID 56803026) is N'-(2-fluorophenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]oxamide.
What is the SMILES notation for N'-(2-fluorophenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]oxamide?
The canonical SMILES for N'-(2-fluorophenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]oxamide is CC(C)c1nc(CNC(=O)C(=O)Nc2ccccc2F)cs1.
What is the InChIKey of N'-(2-fluorophenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]oxamide?
The InChIKey is FFPURNLFPBXEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2S/c1-9(2)15-18-10(8-22-15)7-17-13(20)14(21)19-12-6-4-3-5-11(12)16/h3-6,8-9H,7H2,1-2H3,(H,17,20)(H,19,21).
What are the key properties of N'-(2-fluorophenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]oxamide?
N'-(2-fluorophenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]oxamide has a molecular weight of 321.38 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]oxamide is sourced from PubChem (CID 56803026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).