N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide

C18H19N5OS — CID 34052086

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C18H19N5OS/c1-11-15(12(2)23(22-11)14-6-4-3-5-7-14)10-16(24)19-18-21-20-17(25-18)13-8-9-13/h3-7,13H,8-10H2,1-2H3,(H,19,21,24)
InChIKeyFNMFGCXGXQFEIC-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.40
Rot. Bonds5

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide (PubChem CID 34052086) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
PubChem CID34052086
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C18H19N5OS/c1-11-15(12(2)23(22-11)14-6-4-3-5-7-14)10-16(24)19-18-21-20-17(25-18)13-8-9-13/h3-7,13H,8-10H2,1-2H3,(H,19,21,24)
InChIKeyFNMFGCXGXQFEIC-UHFFFAOYSA-N
XLogP3.40
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55756170
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 17452875
N-(2,3-dihydro-1H-inden-1-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 18103852
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9272967
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 39967848
N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]cyclohexanecarbohydrazide
CID 9327240
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-naphthalen-1-ylacetamide
CID 8503008
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-phenylbutanamide
CID 5154361
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 27297734
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-prop-2-ynylacetamide
CID 46418937
2-[1-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]cyclobutyl]acetic acid
CID 119217147
N-(3-chloro-4-methylphenyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9043581

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide (CID 34052086) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide is Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1nnc(C2CC2)s1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The InChIKey is FNMFGCXGXQFEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-11-15(12(2)23(22-11)14-6-4-3-5-7-14)10-16(24)19-18-21-20-17(25-18)13-8-9-13/h3-7,13H,8-10H2,1-2H3,(H,19,21,24).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide has a molecular weight of 353.45 g/mol, XLogP of 3.40, 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-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 34052086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).