N-(6-acetyl-2-fluoro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide

C16H17FN2O3S — CID 66650494

IUPACN-(6-acetyl-2-fluoro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCOc1ccc(C(C)=O)c(NC(=O)c2nc(C(C)C)cs2)c1F
InChIInChI=1S/C16H17FN2O3S/c1-8(2)11-7-23-16(18-11)15(21)19-14-10(9(3)20)5-6-12(22-4)13(14)17/h5-8H,1-4H3,(H,19,21)
InChIKeyOXUUUJLRJZTFCU-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.87
Rot. Bonds5

About N-(6-acetyl-2-fluoro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide

N-(6-acetyl-2-fluoro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide (PubChem CID 66650494) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(6-acetyl-2-fluoro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(6-acetyl-2-fluoro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide
PubChem CID66650494
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC NameN-(6-acetyl-2-fluoro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCOc1ccc(C(C)=O)c(NC(=O)c2nc(C(C)C)cs2)c1F
InChIInChI=1S/C16H17FN2O3S/c1-8(2)11-7-23-16(18-11)15(21)19-14-10(9(3)20)5-6-12(22-4)13(14)17/h5-8H,1-4H3,(H,19,21)
InChIKeyOXUUUJLRJZTFCU-UHFFFAOYSA-N
XLogP3.87
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-2-fluoro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(6-acetyl-2-fluoro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide (CID 66650494) is N-(6-acetyl-2-fluoro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(6-acetyl-2-fluoro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(6-acetyl-2-fluoro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide is COc1ccc(C(C)=O)c(NC(=O)c2nc(C(C)C)cs2)c1F.
What is the InChIKey of N-(6-acetyl-2-fluoro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The InChIKey is OXUUUJLRJZTFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c1-8(2)11-7-23-16(18-11)15(21)19-14-10(9(3)20)5-6-12(22-4)13(14)17/h5-8H,1-4H3,(H,19,21).
What are the key properties of N-(6-acetyl-2-fluoro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide?
N-(6-acetyl-2-fluoro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-2-fluoro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 66650494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).