5-bromo-N-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide

C17H13BrFN3O4S — CID 46668590

IUPAC5-bromo-N-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)CNC(=O)c3ccc(Br)o3)n2)cc1F
InChIInChI=1S/C17H13BrFN3O4S/c1-25-12-3-2-9(6-10(12)19)11-8-27-17(21-11)22-15(23)7-20-16(24)13-4-5-14(18)26-13/h2-6,8H,7H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyWTHXRGBYUCZGBA-UHFFFAOYSA-N
MW454.28 g/mol
LogP3.68
Rot. Bonds6

About 5-bromo-N-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide

5-bromo-N-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 46668590) has the molecular formula C17H13BrFN3O4S and a molecular weight of 454.28 g/mol. Its IUPAC name is 5-bromo-N-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID46668590
Molecular FormulaC17H13BrFN3O4S
Molecular Weight454.28 g/mol
Exact Mass452.98
IUPAC Name5-bromo-N-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)CNC(=O)c3ccc(Br)o3)n2)cc1F
InChIInChI=1S/C17H13BrFN3O4S/c1-25-12-3-2-9(6-10(12)19)11-8-27-17(21-11)22-15(23)7-20-16(24)13-4-5-14(18)26-13/h2-6,8H,7H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyWTHXRGBYUCZGBA-UHFFFAOYSA-N
XLogP3.68
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.28
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-N-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 55437963
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 46668396
(E)-N-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 55437889
3-[(4-bromophenyl)carbamoylamino]-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 55773674
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-5-(4-nitrophenyl)furan-2-carboxamide
CID 16960207
2-(4-chlorophenoxy)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 54858677
5-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 1407187
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 27993274
5-bromo-N-[2-[(4-naphthalen-1-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]furan-2-carboxamide
CID 60589558
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 7583100
3-(2,5-dimethoxyphenyl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 55550029
2-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 55382357

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide (CID 46668590) is 5-bromo-N-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide is COc1ccc(-c2csc(NC(=O)CNC(=O)c3ccc(Br)o3)n2)cc1F.
What is the InChIKey of 5-bromo-N-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is WTHXRGBYUCZGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFN3O4S/c1-25-12-3-2-9(6-10(12)19)11-8-27-17(21-11)22-15(23)7-20-16(24)13-4-5-14(18)26-13/h2-6,8H,7H2,1H3,(H,20,24)(H,21,22,23).
What are the key properties of 5-bromo-N-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide?
5-bromo-N-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 454.28 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 46668590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).