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

C17H13BrClN3O3S — CID 42353416

IUPAC5-bromo-N-[2-[[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)o1)Nc1ncc(Cc2cccc(Cl)c2)s1
InChIInChI=1S/C17H13BrClN3O3S/c18-14-5-4-13(25-14)16(24)20-9-15(23)22-17-21-8-12(26-17)7-10-2-1-3-11(19)6-10/h1-6,8H,7,9H2,(H,20,24)(H,21,22,23)
InChIKeyUTVSFTBGLUAZCI-UHFFFAOYSA-N
MW454.73 g/mol
LogP4.11
Rot. Bonds6

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

5-bromo-N-[2-[[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 42353416) has the molecular formula C17H13BrClN3O3S and a molecular weight of 454.73 g/mol. Its IUPAC name is 5-bromo-N-[2-[[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID42353416
Molecular FormulaC17H13BrClN3O3S
Molecular Weight454.73 g/mol
Exact Mass452.95
IUPAC Name5-bromo-N-[2-[[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccc(Br)o1)Nc1ncc(Cc2cccc(Cl)c2)s1
InChIInChI=1S/C17H13BrClN3O3S/c18-14-5-4-13(25-14)16(24)20-9-15(23)22-17-21-8-12(26-17)7-10-2-1-3-11(19)6-10/h1-6,8H,7,9H2,(H,20,24)(H,21,22,23)
InChIKeyUTVSFTBGLUAZCI-UHFFFAOYSA-N
XLogP4.11
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.73
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
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CID 30174224
2-(3-fluorophenyl)-N-[2-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]acetamide
CID 55791423
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-5-(4-methylphenyl)furan-3-carboxamide
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N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 18836139
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-methylphenoxy)benzamide
CID 16651082
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1H-indazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide (CID 42353416) is 5-bromo-N-[2-[[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccc(Br)o1)Nc1ncc(Cc2cccc(Cl)c2)s1.
What is the InChIKey of 5-bromo-N-[2-[[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is UTVSFTBGLUAZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrClN3O3S/c18-14-5-4-13(25-14)16(24)20-9-15(23)22-17-21-8-12(26-17)7-10-2-1-3-11(19)6-10/h1-6,8H,7,9H2,(H,20,24)(H,21,22,23).
What are the key properties of 5-bromo-N-[2-[[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide?
5-bromo-N-[2-[[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 454.73 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 42353416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).