4-(2,3-dichloro-4-ethylsulfonylphenyl)-2-pyridin-4-yl-1,3-thiazole

C16H12Cl2N2O2S2 — CID 1480810

IUPAC4-(2,3-dichloro-4-ethylsulfonylphenyl)-2-pyridin-4-yl-1,3-thiazole
SMILESCCS(=O)(=O)c1ccc(-c2csc(-c3ccncc3)n2)c(Cl)c1Cl
InChIInChI=1S/C16H12Cl2N2O2S2/c1-2-24(21,22)13-4-3-11(14(17)15(13)18)12-9-23-16(20-12)10-5-7-19-8-6-10/h3-9H,2H2,1H3
InChIKeySTMRTBZTCVSJLB-UHFFFAOYSA-N
MW399.32 g/mol
LogP4.97
Rot. Bonds4

About 4-(2,3-dichloro-4-ethylsulfonylphenyl)-2-pyridin-4-yl-1,3-thiazole

4-(2,3-dichloro-4-ethylsulfonylphenyl)-2-pyridin-4-yl-1,3-thiazole (PubChem CID 1480810) has the molecular formula C16H12Cl2N2O2S2 and a molecular weight of 399.32 g/mol. Its IUPAC name is 4-(2,3-dichloro-4-ethylsulfonylphenyl)-2-pyridin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(2,3-dichloro-4-ethylsulfonylphenyl)-2-pyridin-4-yl-1,3-thiazole
PubChem CID1480810
Molecular FormulaC16H12Cl2N2O2S2
Molecular Weight399.32 g/mol
Exact Mass397.97
IUPAC Name4-(2,3-dichloro-4-ethylsulfonylphenyl)-2-pyridin-4-yl-1,3-thiazole
SMILESCCS(=O)(=O)c1ccc(-c2csc(-c3ccncc3)n2)c(Cl)c1Cl
InChIInChI=1S/C16H12Cl2N2O2S2/c1-2-24(21,22)13-4-3-11(14(17)15(13)18)12-9-23-16(20-12)10-5-7-19-8-6-10/h3-9H,2H2,1H3
InChIKeySTMRTBZTCVSJLB-UHFFFAOYSA-N
XLogP4.97
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.32
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one
CID 10016685
6-methyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one
CID 10355730
4-(4-methyl-3-pyridinyl)-2-pyridin-4-yl-1,3-thiazole
CID 22049802
6-(methoxymethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridin-2-one
CID 58733690
N-methyl-N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]methanesulfonamide
CID 31263059
4-(2,4-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole
CID 23408094
4-[3-bromo-2-chloro-4-(trifluoromethylsulfonylmethyl)phenyl]-2-(2-tert-butyl-4-pyridinyl)-1,3-thiazole
CID 147827394
4-(2-methylbutan-2-yl)-2-pyridin-4-yl-1,3-thiazole
CID 70810015
3-[4-(4-ethyl-3-pyridinyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 22049774
2-pyridin-4-yl-4-thiophen-2-yl-1,3-thiazole
CID 100596517
N-tert-butyl-3-(ethylamino)-4-(2-phenyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 175413814
4-(3-chloro-4-pyridinyl)-2-(furan-3-yl)-1,3-thiazole
CID 122133821

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichloro-4-ethylsulfonylphenyl)-2-pyridin-4-yl-1,3-thiazole?
The IUPAC name of 4-(2,3-dichloro-4-ethylsulfonylphenyl)-2-pyridin-4-yl-1,3-thiazole (CID 1480810) is 4-(2,3-dichloro-4-ethylsulfonylphenyl)-2-pyridin-4-yl-1,3-thiazole.
What is the SMILES notation for 4-(2,3-dichloro-4-ethylsulfonylphenyl)-2-pyridin-4-yl-1,3-thiazole?
The canonical SMILES for 4-(2,3-dichloro-4-ethylsulfonylphenyl)-2-pyridin-4-yl-1,3-thiazole is CCS(=O)(=O)c1ccc(-c2csc(-c3ccncc3)n2)c(Cl)c1Cl.
What is the InChIKey of 4-(2,3-dichloro-4-ethylsulfonylphenyl)-2-pyridin-4-yl-1,3-thiazole?
The InChIKey is STMRTBZTCVSJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O2S2/c1-2-24(21,22)13-4-3-11(14(17)15(13)18)12-9-23-16(20-12)10-5-7-19-8-6-10/h3-9H,2H2,1H3.
What are the key properties of 4-(2,3-dichloro-4-ethylsulfonylphenyl)-2-pyridin-4-yl-1,3-thiazole?
4-(2,3-dichloro-4-ethylsulfonylphenyl)-2-pyridin-4-yl-1,3-thiazole has a molecular weight of 399.32 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichloro-4-ethylsulfonylphenyl)-2-pyridin-4-yl-1,3-thiazole is sourced from PubChem (CID 1480810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).