4-(3,4-dichlorophenyl)-2-[4-(3-ethylphenyl)-3-methylpyrazol-1-yl]-5-propan-2-ylsulfanyl-1,3-thiazole

C24H23Cl2N3S2 — CID 162056707

IUPAC4-(3,4-dichlorophenyl)-2-[4-(3-ethylphenyl)-3-methylpyrazol-1-yl]-5-propan-2-ylsulfanyl-1,3-thiazole
SMILESCCc1cccc(-c2cn(-c3nc(-c4ccc(Cl)c(Cl)c4)c(SC(C)C)s3)nc2C)c1
InChIInChI=1S/C24H23Cl2N3S2/c1-5-16-7-6-8-17(11-16)19-13-29(28-15(19)4)24-27-22(23(31-24)30-14(2)3)18-9-10-20(25)21(26)12-18/h6-14H,5H2,1-4H3
InChIKeyFTDWUFZGPXYPSY-UHFFFAOYSA-N
MW488.51 g/mol
LogP8.34
Rot. Bonds6

About 4-(3,4-dichlorophenyl)-2-[4-(3-ethylphenyl)-3-methylpyrazol-1-yl]-5-propan-2-ylsulfanyl-1,3-thiazole

4-(3,4-dichlorophenyl)-2-[4-(3-ethylphenyl)-3-methylpyrazol-1-yl]-5-propan-2-ylsulfanyl-1,3-thiazole (PubChem CID 162056707) has the molecular formula C24H23Cl2N3S2 and a molecular weight of 488.51 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-2-[4-(3-ethylphenyl)-3-methylpyrazol-1-yl]-5-propan-2-ylsulfanyl-1,3-thiazole.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-2-[4-(3-ethylphenyl)-3-methylpyrazol-1-yl]-5-propan-2-ylsulfanyl-1,3-thiazole
PubChem CID162056707
Molecular FormulaC24H23Cl2N3S2
Molecular Weight488.51 g/mol
Exact Mass487.07
IUPAC Name4-(3,4-dichlorophenyl)-2-[4-(3-ethylphenyl)-3-methylpyrazol-1-yl]-5-propan-2-ylsulfanyl-1,3-thiazole
SMILESCCc1cccc(-c2cn(-c3nc(-c4ccc(Cl)c(Cl)c4)c(SC(C)C)s3)nc2C)c1
InChIInChI=1S/C24H23Cl2N3S2/c1-5-16-7-6-8-17(11-16)19-13-29(28-15(19)4)24-27-22(23(31-24)30-14(2)3)18-9-10-20(25)21(26)12-18/h6-14H,5H2,1-4H3
InChIKeyFTDWUFZGPXYPSY-UHFFFAOYSA-N
XLogP8.34
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.51
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dichlorophenyl)-2-[4-(3,5-difluorophenyl)-3-methylpyrazol-1-yl]-5-propan-2-ylsulfanyl-1,3-thiazole
CID 140936360
4-(3,4-dichlorophenyl)-2-(3,4-dimethylpyrazol-1-yl)-5-propan-2-ylsulfanyl-1,3-thiazole
CID 159221866
carbon dioxide;4-(3,4-dichlorophenyl)-2-[4-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazol-1-yl]-5-propan-2-ylsulfanyl-1,3-thiazole
CID 161030188
4-(3,4-dichlorophenyl)-2-(3-methyl-4-pyrazolo[1,5-a]pyrimidin-3-ylpyrazol-1-yl)-5-propan-2-ylsulfanyl-1,3-thiazole
CID 140936252
carbon dioxide;4-[1-[4-(3,4-dichlorophenyl)-5-propan-2-ylsulfanyl-1,3-thiazol-2-yl]-3-methylpyrazol-4-yl]-N-methylpyridin-2-amine
CID 159901637
[4-[1-[4-(3,4-dichlorophenyl)-5-propan-2-ylsulfanyl-1,3-thiazol-2-yl]-3-methylpyrazol-4-yl]-5-methyl-1,2-oxazol-3-yl]methanol
CID 140936323
carbon dioxide;4-(3,4-dichlorophenyl)-2-[3-methyl-4-(3-methyl-5-propan-2-yloxyphenyl)pyrazol-1-yl]-5-propan-2-ylsulfanyl-1,3-thiazole
CID 158067079
carbon dioxide;4-[2-[4-(3-fluorophenyl)-3-methylpyrazol-1-yl]-5-propan-2-ylsulfanyl-1,3-thiazol-4-yl]-2-methylbenzonitrile
CID 160878637
4-(3,4-dichlorophenyl)-2-[3,5-dimethyl-4-(4-methylphenyl)pyrazol-1-yl]-5-propan-2-ylsulfanyl-1,3-thiazole
CID 145200628
1-[4-(3,4-dichlorophenyl)-5-propan-2-ylsulfanyl-1,3-thiazol-2-yl]-4-(3-methoxyphenyl)-3-methylpyrazole-5-carbaldehyde
CID 142366855
4-(3-methoxyphenyl)-2-[3-methyl-4-[(2-nitrophenyl)methyl]pyrazol-1-yl]-5-propan-2-ylsulfanyl-1,3-thiazole
CID 140936305
1-[4-(3,4-dichlorophenyl)-5-propan-2-ylsulfanyl-1,3-thiazol-2-yl]-3-methyl-4-(2-methylphenyl)pyrazole-5-carbaldehyde;(1-methylpiperidin-4-yl)methanamine
CID 145200574

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-2-[4-(3-ethylphenyl)-3-methylpyrazol-1-yl]-5-propan-2-ylsulfanyl-1,3-thiazole?
The IUPAC name of 4-(3,4-dichlorophenyl)-2-[4-(3-ethylphenyl)-3-methylpyrazol-1-yl]-5-propan-2-ylsulfanyl-1,3-thiazole (CID 162056707) is 4-(3,4-dichlorophenyl)-2-[4-(3-ethylphenyl)-3-methylpyrazol-1-yl]-5-propan-2-ylsulfanyl-1,3-thiazole.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-2-[4-(3-ethylphenyl)-3-methylpyrazol-1-yl]-5-propan-2-ylsulfanyl-1,3-thiazole?
The canonical SMILES for 4-(3,4-dichlorophenyl)-2-[4-(3-ethylphenyl)-3-methylpyrazol-1-yl]-5-propan-2-ylsulfanyl-1,3-thiazole is CCc1cccc(-c2cn(-c3nc(-c4ccc(Cl)c(Cl)c4)c(SC(C)C)s3)nc2C)c1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-2-[4-(3-ethylphenyl)-3-methylpyrazol-1-yl]-5-propan-2-ylsulfanyl-1,3-thiazole?
The InChIKey is FTDWUFZGPXYPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N3S2/c1-5-16-7-6-8-17(11-16)19-13-29(28-15(19)4)24-27-22(23(31-24)30-14(2)3)18-9-10-20(25)21(26)12-18/h6-14H,5H2,1-4H3.
What are the key properties of 4-(3,4-dichlorophenyl)-2-[4-(3-ethylphenyl)-3-methylpyrazol-1-yl]-5-propan-2-ylsulfanyl-1,3-thiazole?
4-(3,4-dichlorophenyl)-2-[4-(3-ethylphenyl)-3-methylpyrazol-1-yl]-5-propan-2-ylsulfanyl-1,3-thiazole has a molecular weight of 488.51 g/mol, XLogP of 8.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-2-[4-(3-ethylphenyl)-3-methylpyrazol-1-yl]-5-propan-2-ylsulfanyl-1,3-thiazole is sourced from PubChem (CID 162056707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).