N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[2-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine

C18H17Cl2N7S — CID 19585279

IUPACN-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[2-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1cnn(CCc2nnc(Nc3ccn(Cc4c(Cl)cccc4Cl)n3)s2)c1
InChIInChI=1S/C18H17Cl2N7S/c1-12-9-21-26(10-12)8-6-17-23-24-18(28-17)22-16-5-7-27(25-16)11-13-14(19)3-2-4-15(13)20/h2-5,7,9-10H,6,8,11H2,1H3,(H,22,24,25)
InChIKeyPJUBPTMNHMCCRH-UHFFFAOYSA-N
MW434.36 g/mol
LogP4.58
Rot. Bonds7

About N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[2-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine

N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[2-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 19585279) has the molecular formula C18H17Cl2N7S and a molecular weight of 434.36 g/mol. Its IUPAC name is N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[2-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[2-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID19585279
Molecular FormulaC18H17Cl2N7S
Molecular Weight434.36 g/mol
Exact Mass433.06
IUPAC NameN-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[2-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCc1cnn(CCc2nnc(Nc3ccn(Cc4c(Cl)cccc4Cl)n3)s2)c1
InChIInChI=1S/C18H17Cl2N7S/c1-12-9-21-26(10-12)8-6-17-23-24-18(28-17)22-16-5-7-27(25-16)11-13-14(19)3-2-4-15(13)20/h2-5,7,9-10H,6,8,11H2,1H3,(H,22,24,25)
InChIKeyPJUBPTMNHMCCRH-UHFFFAOYSA-N
XLogP4.58
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.36
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[2-(3-nitropyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 17024332
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 19585392
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-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-(1,5-dimethylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine
CID 19585490
N-(1-benzylpyrazol-3-yl)-5-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 19585084
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine;sulfuric acid
CID 90483055
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-methylpyrazol-1-yl)propanamide
CID 19559627
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-5-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 19585139
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 17024519
5-(4-bromo-1,5-dimethylpyrazol-3-yl)-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-1,3,4-thiadiazol-2-amine
CID 19584145
N-(1-benzylpyrazol-3-yl)-5-[(1R)-1-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 51388442
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-5-[1-(difluoromethyl)-5-methylpyrazol-3-yl]-1,3,4-thiadiazol-2-amine
CID 17023869

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[2-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[2-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine (CID 19585279) is N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[2-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[2-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[2-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine is Cc1cnn(CCc2nnc(Nc3ccn(Cc4c(Cl)cccc4Cl)n3)s2)c1.
What is the InChIKey of N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[2-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is PJUBPTMNHMCCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N7S/c1-12-9-21-26(10-12)8-6-17-23-24-18(28-17)22-16-5-7-27(25-16)11-13-14(19)3-2-4-15(13)20/h2-5,7,9-10H,6,8,11H2,1H3,(H,22,24,25).
What are the key properties of N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[2-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine?
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[2-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 434.36 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[2-(4-methylpyrazol-1-yl)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 19585279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).