N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide

C18H17Cl2N5OS — CID 55756170

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C18H17Cl2N5OS/c1-9-13(8-16(26)21-18-23-22-17(27-18)11-3-4-11)10(2)25(24-9)15-6-5-12(19)7-14(15)20/h5-7,11H,3-4,8H2,1-2H3,(H,21,23,26)
InChIKeyMGKGQCDCLKRIOZ-UHFFFAOYSA-N
MW422.34 g/mol
LogP4.71
Rot. Bonds5

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide (PubChem CID 55756170) has the molecular formula C18H17Cl2N5OS and a molecular weight of 422.34 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
PubChem CID55756170
Molecular FormulaC18H17Cl2N5OS
Molecular Weight422.34 g/mol
Exact Mass421.05
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C18H17Cl2N5OS/c1-9-13(8-16(26)21-18-23-22-17(27-18)11-3-4-11)10(2)25(24-9)15-6-5-12(19)7-14(15)20/h5-7,11H,3-4,8H2,1-2H3,(H,21,23,26)
InChIKeyMGKGQCDCLKRIOZ-UHFFFAOYSA-N
XLogP4.71
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.34
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 34052086
2-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxamide
CID 78884704
2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-piperidin-4-ylacetamide
CID 119390343
2-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]acetic acid
CID 119171332
methyl 2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetate
CID 61381135
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 17452875
N-[(2S)-1-aminopropan-2-yl]-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 120506491
5-[[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]pentanoic acid
CID 119234526
1-[2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-2-carboxamide
CID 112830468
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(2,4-dichlorophenoxy)butanamide
CID 2225539
2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-propan-2-ylacetamide
CID 86998087
2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 55755549

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide (CID 55756170) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide is Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)Nc1nnc(C2CC2)s1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The InChIKey is MGKGQCDCLKRIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N5OS/c1-9-13(8-16(26)21-18-23-22-17(27-18)11-3-4-11)10(2)25(24-9)15-6-5-12(19)7-14(15)20/h5-7,11H,3-4,8H2,1-2H3,(H,21,23,26).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide has a molecular weight of 422.34 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide is sourced from PubChem (CID 55756170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).