3-[2,4-bis(4-chlorophenyl)-1,3-thiazol-5-yl]-N-methylsulfonylpropanamide

C19H16Cl2N2O3S2 — CID 164624383

IUPAC3-[2,4-bis(4-chlorophenyl)-1,3-thiazol-5-yl]-N-methylsulfonylpropanamide
SMILESCS(=O)(=O)NC(=O)CCc1sc(-c2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H16Cl2N2O3S2/c1-28(25,26)23-17(24)11-10-16-18(12-2-6-14(20)7-3-12)22-19(27-16)13-4-8-15(21)9-5-13/h2-9H,10-11H2,1H3,(H,23,24)
InChIKeyDCEVVAOAHWORPZ-UHFFFAOYSA-N
MW455.39 g/mol
LogP4.79
Rot. Bonds6

About 3-[2,4-bis(4-chlorophenyl)-1,3-thiazol-5-yl]-N-methylsulfonylpropanamide

3-[2,4-bis(4-chlorophenyl)-1,3-thiazol-5-yl]-N-methylsulfonylpropanamide (PubChem CID 164624383) has the molecular formula C19H16Cl2N2O3S2 and a molecular weight of 455.39 g/mol. Its IUPAC name is 3-[2,4-bis(4-chlorophenyl)-1,3-thiazol-5-yl]-N-methylsulfonylpropanamide.

Molecular Properties

Compound Name3-[2,4-bis(4-chlorophenyl)-1,3-thiazol-5-yl]-N-methylsulfonylpropanamide
PubChem CID164624383
Molecular FormulaC19H16Cl2N2O3S2
Molecular Weight455.39 g/mol
Exact Mass454.00
IUPAC Name3-[2,4-bis(4-chlorophenyl)-1,3-thiazol-5-yl]-N-methylsulfonylpropanamide
SMILESCS(=O)(=O)NC(=O)CCc1sc(-c2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H16Cl2N2O3S2/c1-28(25,26)23-17(24)11-10-16-18(12-2-6-14(20)7-3-12)22-19(27-16)13-4-8-15(21)9-5-13/h2-9H,10-11H2,1H3,(H,23,24)
InChIKeyDCEVVAOAHWORPZ-UHFFFAOYSA-N
XLogP4.79
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.39
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 35211552
2-[4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid
CID 59384906
3-[2-amino-4-(4-chlorophenyl)-1,3-thiazol-5-yl]-N-[4-(phosphonatomethyl)phenyl]propanamide
CID 21088706
2-[4-(4-chlorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(4-chlorophenyl)sulfonylacetamide
CID 11554000
bis[[2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetyl]oxy]lead
CID 16687384
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,3-dimethylbutanamide
CID 7518001
N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]hexanamide
CID 5221499
N-[4-(4-chlorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 126200117
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpropanamide
CID 7518028
2-[4-(4-chlorophenyl)-2-(methylamino)-1,3-thiazol-5-yl]ethanol
CID 14100762
5-[(4-chlorophenyl)methylsulfanyl]-N-methylsulfonylpentanamide
CID 167898568
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-ethoxyacetamide
CID 7518024

Frequently Asked Questions

What is the IUPAC name of 3-[2,4-bis(4-chlorophenyl)-1,3-thiazol-5-yl]-N-methylsulfonylpropanamide?
The IUPAC name of 3-[2,4-bis(4-chlorophenyl)-1,3-thiazol-5-yl]-N-methylsulfonylpropanamide (CID 164624383) is 3-[2,4-bis(4-chlorophenyl)-1,3-thiazol-5-yl]-N-methylsulfonylpropanamide.
What is the SMILES notation for 3-[2,4-bis(4-chlorophenyl)-1,3-thiazol-5-yl]-N-methylsulfonylpropanamide?
The canonical SMILES for 3-[2,4-bis(4-chlorophenyl)-1,3-thiazol-5-yl]-N-methylsulfonylpropanamide is CS(=O)(=O)NC(=O)CCc1sc(-c2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 3-[2,4-bis(4-chlorophenyl)-1,3-thiazol-5-yl]-N-methylsulfonylpropanamide?
The InChIKey is DCEVVAOAHWORPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O3S2/c1-28(25,26)23-17(24)11-10-16-18(12-2-6-14(20)7-3-12)22-19(27-16)13-4-8-15(21)9-5-13/h2-9H,10-11H2,1H3,(H,23,24).
What are the key properties of 3-[2,4-bis(4-chlorophenyl)-1,3-thiazol-5-yl]-N-methylsulfonylpropanamide?
3-[2,4-bis(4-chlorophenyl)-1,3-thiazol-5-yl]-N-methylsulfonylpropanamide has a molecular weight of 455.39 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4-bis(4-chlorophenyl)-1,3-thiazol-5-yl]-N-methylsulfonylpropanamide is sourced from PubChem (CID 164624383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).