5-[(3,5-dichloro-4-hydroxybenzoyl)amino]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide

C18H12Cl2FN3O3S — CID 163301064

IUPAC5-[(3,5-dichloro-4-hydroxybenzoyl)amino]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1scnc1C(=O)NCc1cccc(F)c1)c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C18H12Cl2FN3O3S/c19-12-5-10(6-13(20)15(12)25)16(26)24-18-14(23-8-28-18)17(27)22-7-9-2-1-3-11(21)4-9/h1-6,8,25H,7H2,(H,22,27)(H,24,26)
InChIKeyILQGPQCBMPSKRJ-UHFFFAOYSA-N
MW440.28 g/mol
LogP4.48
Rot. Bonds5

About 5-[(3,5-dichloro-4-hydroxybenzoyl)amino]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide

5-[(3,5-dichloro-4-hydroxybenzoyl)amino]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 163301064) has the molecular formula C18H12Cl2FN3O3S and a molecular weight of 440.28 g/mol. Its IUPAC name is 5-[(3,5-dichloro-4-hydroxybenzoyl)amino]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[(3,5-dichloro-4-hydroxybenzoyl)amino]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID163301064
Molecular FormulaC18H12Cl2FN3O3S
Molecular Weight440.28 g/mol
Exact Mass439.00
IUPAC Name5-[(3,5-dichloro-4-hydroxybenzoyl)amino]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1scnc1C(=O)NCc1cccc(F)c1)c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C18H12Cl2FN3O3S/c19-12-5-10(6-13(20)15(12)25)16(26)24-18-14(23-8-28-18)17(27)22-7-9-2-1-3-11(21)4-9/h1-6,8,25H,7H2,(H,22,27)(H,24,26)
InChIKeyILQGPQCBMPSKRJ-UHFFFAOYSA-N
XLogP4.48
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.28
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3,5-dichloro-N-[(3-fluorophenyl)methyl]benzamide
CID 82795367
6-chloro-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide
CID 24903422
4-chloro-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide
CID 144538905
5-chloro-N-[(3-fluorophenyl)methyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 46586010
2,4-dichloro-N-[(3-fluorophenyl)methyl]benzamide
CID 127502749
2-N,6-N-bis[(3-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 20929906
4-chloro-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide;ethane
CID 144538904
4-N-[(3-chloro-4-fluorophenyl)methyl]-6-N-[(3-fluorophenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 20824245
6-fluoro-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 115496743
1-[(3-fluorophenyl)methyl]-3-pyrimidin-2-ylurea
CID 108898501
2-N,4-N-bis[(3-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 10293185
N-(3,5-dichloro-4-hydroxyphenyl)-3-fluorobenzamide
CID 82885015

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dichloro-4-hydroxybenzoyl)amino]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[(3,5-dichloro-4-hydroxybenzoyl)amino]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide (CID 163301064) is 5-[(3,5-dichloro-4-hydroxybenzoyl)amino]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[(3,5-dichloro-4-hydroxybenzoyl)amino]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[(3,5-dichloro-4-hydroxybenzoyl)amino]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide is O=C(Nc1scnc1C(=O)NCc1cccc(F)c1)c1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of 5-[(3,5-dichloro-4-hydroxybenzoyl)amino]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ILQGPQCBMPSKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2FN3O3S/c19-12-5-10(6-13(20)15(12)25)16(26)24-18-14(23-8-28-18)17(27)22-7-9-2-1-3-11(21)4-9/h1-6,8,25H,7H2,(H,22,27)(H,24,26).
What are the key properties of 5-[(3,5-dichloro-4-hydroxybenzoyl)amino]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
5-[(3,5-dichloro-4-hydroxybenzoyl)amino]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 440.28 g/mol, XLogP of 4.48, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dichloro-4-hydroxybenzoyl)amino]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 163301064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).