N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

C19H15ClFN3O3S2 — CID 60581734

IUPACN-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccc(F)c(Cl)c2)cs1)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C19H15ClFN3O3S2/c20-15-10-12(5-6-16(15)21)17-11-28-19(22-17)23-18(25)13-3-1-4-14(9-13)24-7-2-8-29(24,26)27/h1,3-6,9-11H,2,7-8H2,(H,22,23,25)
InChIKeyDAOZMTKOLHBQAA-UHFFFAOYSA-N
MW451.93 g/mol
LogP4.39
Rot. Bonds4

About N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 60581734) has the molecular formula C19H15ClFN3O3S2 and a molecular weight of 451.93 g/mol. Its IUPAC name is N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID60581734
Molecular FormulaC19H15ClFN3O3S2
Molecular Weight451.93 g/mol
Exact Mass451.02
IUPAC NameN-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccc(F)c(Cl)c2)cs1)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C19H15ClFN3O3S2/c20-15-10-12(5-6-16(15)21)17-11-28-19(22-17)23-18(25)13-3-1-4-14(9-13)24-7-2-8-29(24,26)27/h1,3-6,9-11H,2,7-8H2,(H,22,23,25)
InChIKeyDAOZMTKOLHBQAA-UHFFFAOYSA-N
XLogP4.39
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.93
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 18229524
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55433052
N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 60581699
(E)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enamide
CID 55538311
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluorophenyl)benzamide
CID 51309461
N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 47072656
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 18137763
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 4693642
N-(4-amino-3,5-dichlorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 41492455
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 3492947
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 55895680
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 2557251

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (CID 60581734) is N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is O=C(Nc1nc(-c2ccc(F)c(Cl)c2)cs1)c1cccc(N2CCCS2(=O)=O)c1.
What is the InChIKey of N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is DAOZMTKOLHBQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O3S2/c20-15-10-12(5-6-16(15)21)17-11-28-19(22-17)23-18(25)13-3-1-4-14(9-13)24-7-2-8-29(24,26)27/h1,3-6,9-11H,2,7-8H2,(H,22,23,25).
What are the key properties of N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 451.93 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 60581734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).