4-cyano-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]oxane-4-carboxamide

C17H16FN3O2S — CID 167327128

IUPAC4-cyano-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]oxane-4-carboxamide
SMILESN#CC1(C(=O)Nc2ncc(Cc3ccccc3F)s2)CCOCC1
InChIInChI=1S/C17H16FN3O2S/c18-14-4-2-1-3-12(14)9-13-10-20-16(24-13)21-15(22)17(11-19)5-7-23-8-6-17/h1-4,10H,5-9H2,(H,20,21,22)
InChIKeyGMKWWRVIPXUVGY-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.13
Rot. Bonds4

About 4-cyano-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]oxane-4-carboxamide

4-cyano-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]oxane-4-carboxamide (PubChem CID 167327128) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-cyano-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]oxane-4-carboxamide
PubChem CID167327128
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC Name4-cyano-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]oxane-4-carboxamide
SMILESN#CC1(C(=O)Nc2ncc(Cc3ccccc3F)s2)CCOCC1
InChIInChI=1S/C17H16FN3O2S/c18-14-4-2-1-3-12(14)9-13-10-20-16(24-13)21-15(22)17(11-19)5-7-23-8-6-17/h1-4,10H,5-9H2,(H,20,21,22)
InChIKeyGMKWWRVIPXUVGY-UHFFFAOYSA-N
XLogP3.13
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 2227870
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methyl-1-methylsulfonylpiperidine-4-carboxamide
CID 164896241
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 119286796
2-(4-fluoroanilino)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 2239908
1-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122093547
1-cyano-N-(5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carboxamide
CID 78994872
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 11604668
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119718760
N-[5-[(2,5-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methyloxetane-3-carboxamide
CID 167327143
3-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl-methylamino]propanoic acid
CID 122093542
(3R)-1-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 129468818
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-propan-2-yloxybenzamide
CID 3685021

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]oxane-4-carboxamide?
The IUPAC name of 4-cyano-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]oxane-4-carboxamide (CID 167327128) is 4-cyano-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]oxane-4-carboxamide.
What is the SMILES notation for 4-cyano-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]oxane-4-carboxamide?
The canonical SMILES for 4-cyano-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]oxane-4-carboxamide is N#CC1(C(=O)Nc2ncc(Cc3ccccc3F)s2)CCOCC1.
What is the InChIKey of 4-cyano-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]oxane-4-carboxamide?
The InChIKey is GMKWWRVIPXUVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c18-14-4-2-1-3-12(14)9-13-10-20-16(24-13)21-15(22)17(11-19)5-7-23-8-6-17/h1-4,10H,5-9H2,(H,20,21,22).
What are the key properties of 4-cyano-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]oxane-4-carboxamide?
4-cyano-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]oxane-4-carboxamide has a molecular weight of 345.40 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 4-cyano-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]oxane-4-carboxamide is sourced from PubChem (CID 167327128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).