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

C18H16BrN3O4S — CID 43018422

IUPAC5-bromo-N-[2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESCOc1ccc(-c2nc(NC(=O)CNC(=O)c3ccc(Br)o3)sc2C)cc1
InChIInChI=1S/C18H16BrN3O4S/c1-10-16(11-3-5-12(25-2)6-4-11)22-18(27-10)21-15(23)9-20-17(24)13-7-8-14(19)26-13/h3-8H,9H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyXLKKTHKCHJHWQV-UHFFFAOYSA-N
MW450.31 g/mol
LogP3.85
Rot. Bonds6

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

5-bromo-N-[2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 43018422) has the molecular formula C18H16BrN3O4S and a molecular weight of 450.31 g/mol. Its IUPAC name is 5-bromo-N-[2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID43018422
Molecular FormulaC18H16BrN3O4S
Molecular Weight450.31 g/mol
Exact Mass449.00
IUPAC Name5-bromo-N-[2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESCOc1ccc(-c2nc(NC(=O)CNC(=O)c3ccc(Br)o3)sc2C)cc1
InChIInChI=1S/C18H16BrN3O4S/c1-10-16(11-3-5-12(25-2)6-4-11)22-18(27-10)21-15(23)9-20-17(24)13-7-8-14(19)26-13/h3-8H,9H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyXLKKTHKCHJHWQV-UHFFFAOYSA-N
XLogP3.85
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.31
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 134028765
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CID 126766411
3-(4-methoxyphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 2388192
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CID 41107811
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 24524482
4-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119264694
5-bromo-N-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide
CID 46668590
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 4615365
7-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide;hydrochloride
CID 119677240
2-benzylsulfonyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 16824336
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 9094379
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-5-methylthiophene-2-carboxamide
CID 4812490

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide (CID 43018422) is 5-bromo-N-[2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide is COc1ccc(-c2nc(NC(=O)CNC(=O)c3ccc(Br)o3)sc2C)cc1.
What is the InChIKey of 5-bromo-N-[2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is XLKKTHKCHJHWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O4S/c1-10-16(11-3-5-12(25-2)6-4-11)22-18(27-10)21-15(23)9-20-17(24)13-7-8-14(19)26-13/h3-8H,9H2,1-2H3,(H,20,24)(H,21,22,23).
What are the key properties of 5-bromo-N-[2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide?
5-bromo-N-[2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 450.31 g/mol, XLogP of 3.85, 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-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 43018422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).