N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-(methoxymethyl)furan-2-carboxamide

C16H13FN2O3S — CID 78824534

IUPACN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)o1
InChIInChI=1S/C16H13FN2O3S/c1-21-8-12-6-7-14(22-12)15(20)19-16-18-13(9-23-16)10-2-4-11(17)5-3-10/h2-7,9H,8H2,1H3,(H,18,19,20)
InChIKeyXHQYSUUWZUVETE-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.94
Rot. Bonds5

About N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-(methoxymethyl)furan-2-carboxamide

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-(methoxymethyl)furan-2-carboxamide (PubChem CID 78824534) has the molecular formula C16H13FN2O3S and a molecular weight of 332.36 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-(methoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-(methoxymethyl)furan-2-carboxamide
PubChem CID78824534
Molecular FormulaC16H13FN2O3S
Molecular Weight332.36 g/mol
Exact Mass332.06
IUPAC NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)o1
InChIInChI=1S/C16H13FN2O3S/c1-21-8-12-6-7-14(22-12)15(20)19-16-18-13(9-23-16)10-2-4-11(17)5-3-10/h2-7,9H,8H2,1H3,(H,18,19,20)
InChIKeyXHQYSUUWZUVETE-UHFFFAOYSA-N
XLogP3.94
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-fluorophenoxy)methyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 41163900
5-[(4-tert-butylphenoxy)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 19452519
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(2-methoxyethyl)urea
CID 45497113
5-[(4-bromophenoxy)methyl]-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 19413597
N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carboxamide
CID 19465933
ethyl 2-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-1,3-thiazole-4-carboxylate
CID 78772620
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 868787
3-fluoro-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 9100757
N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 9100665
N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 17405575
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 2090704
5-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 1407187

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-(methoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-(methoxymethyl)furan-2-carboxamide (CID 78824534) is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-(methoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-(methoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-(methoxymethyl)furan-2-carboxamide is COCc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)o1.
What is the InChIKey of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-(methoxymethyl)furan-2-carboxamide?
The InChIKey is XHQYSUUWZUVETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3S/c1-21-8-12-6-7-14(22-12)15(20)19-16-18-13(9-23-16)10-2-4-11(17)5-3-10/h2-7,9H,8H2,1H3,(H,18,19,20).
What are the key properties of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-(methoxymethyl)furan-2-carboxamide?
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-(methoxymethyl)furan-2-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-(methoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 78824534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).