2-[[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]methyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3,4-thiadiazole

C19H18Cl2N6S — CID 161243551

IUPAC2-[[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]methyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3,4-thiadiazole
SMILESCc1cc(C)n(Cc2nnc(Cc3ccn(Cc4c(Cl)cccc4Cl)n3)s2)n1
InChIInChI=1S/C19H18Cl2N6S/c1-12-8-13(2)27(24-12)11-19-23-22-18(28-19)9-14-6-7-26(25-14)10-15-16(20)4-3-5-17(15)21/h3-8H,9-11H2,1-2H3
InChIKeyVAIFSQPNKUKTNY-UHFFFAOYSA-N
MW433.37 g/mol
LogP4.54
Rot. Bonds6

About 2-[[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]methyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3,4-thiadiazole

2-[[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]methyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3,4-thiadiazole (PubChem CID 161243551) has the molecular formula C19H18Cl2N6S and a molecular weight of 433.37 g/mol. Its IUPAC name is 2-[[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]methyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]methyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3,4-thiadiazole
PubChem CID161243551
Molecular FormulaC19H18Cl2N6S
Molecular Weight433.37 g/mol
Exact Mass432.07
IUPAC Name2-[[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]methyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3,4-thiadiazole
SMILESCc1cc(C)n(Cc2nnc(Cc3ccn(Cc4c(Cl)cccc4Cl)n3)s2)n1
InChIInChI=1S/C19H18Cl2N6S/c1-12-8-13(2)27(24-12)11-19-23-22-18(28-19)9-14-6-7-26(25-14)10-15-16(20)4-3-5-17(15)21/h3-8H,9-11H2,1-2H3
InChIKeyVAIFSQPNKUKTNY-UHFFFAOYSA-N
XLogP4.54
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.37
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 19585392
2-[[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]methyl]-5-[(3-nitropyrazol-1-yl)methyl]-1,3,4-thiadiazole
CID 149358037
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 17024519
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 19467768
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-5-[(3-methylpyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 19584154
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 19525787
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-(1,5-dimethylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine
CID 19585490
1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpyrazole
CID 63812244
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[2-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 19585279
2-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[[1-[(3-ethoxyphenyl)methyl]pyrazol-3-yl]methyl]-1,3,4-thiadiazole
CID 159092172
1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiourea
CID 19334102
[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone
CID 19327676

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]methyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3,4-thiadiazole?
The IUPAC name of 2-[[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]methyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3,4-thiadiazole (CID 161243551) is 2-[[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]methyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]methyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]methyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3,4-thiadiazole is Cc1cc(C)n(Cc2nnc(Cc3ccn(Cc4c(Cl)cccc4Cl)n3)s2)n1.
What is the InChIKey of 2-[[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]methyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3,4-thiadiazole?
The InChIKey is VAIFSQPNKUKTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N6S/c1-12-8-13(2)27(24-12)11-19-23-22-18(28-19)9-14-6-7-26(25-14)10-15-16(20)4-3-5-17(15)21/h3-8H,9-11H2,1-2H3.
What are the key properties of 2-[[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]methyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3,4-thiadiazole?
2-[[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]methyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3,4-thiadiazole has a molecular weight of 433.37 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]methyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3,4-thiadiazole is sourced from PubChem (CID 161243551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).