N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

C23H24N6O2S2 — CID 55482768

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
SMILESCc1ccc(Nc2nnc(SCCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)s2)cc1
InChIInChI=1S/C23H24N6O2S2/c1-15-9-11-17(12-10-15)24-22-26-27-23(33-22)32-14-13-19(30)25-20-16(2)28(3)29(21(20)31)18-7-5-4-6-8-18/h4-12H,13-14H2,1-3H3,(H,24,26)(H,25,30)
InChIKeyIAMYDMCXMKHXQS-UHFFFAOYSA-N
MW480.62 g/mol
LogP4.51
Rot. Bonds8

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (PubChem CID 55482768) has the molecular formula C23H24N6O2S2 and a molecular weight of 480.62 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
PubChem CID55482768
Molecular FormulaC23H24N6O2S2
Molecular Weight480.62 g/mol
Exact Mass480.14
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
SMILESCc1ccc(Nc2nnc(SCCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)s2)cc1
InChIInChI=1S/C23H24N6O2S2/c1-15-9-11-17(12-10-15)24-22-26-27-23(33-22)32-14-13-19(30)25-20-16(2)28(3)29(21(20)31)18-7-5-4-6-8-18/h4-12H,13-14H2,1-3H3,(H,24,26)(H,25,30)
InChIKeyIAMYDMCXMKHXQS-UHFFFAOYSA-N
XLogP4.51
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.62
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

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CID 46683254
N-[5-[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-methylpentanamide
CID 43027916
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3-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
CID 24671160
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 4903453
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide
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N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 23826470
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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide (CID 55482768) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is Cc1ccc(Nc2nnc(SCCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)s2)cc1.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is IAMYDMCXMKHXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2S2/c1-15-9-11-17(12-10-15)24-22-26-27-23(33-22)32-14-13-19(30)25-20-16(2)28(3)29(21(20)31)18-7-5-4-6-8-18/h4-12H,13-14H2,1-3H3,(H,24,26)(H,25,30).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 480.62 g/mol, XLogP of 4.51, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 55482768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).