3-methyl-5-[(2R)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]-1-phenylpyrazol-4-ol

C19H18N4OS — CID 2717876

IUPAC3-methyl-5-[(2R)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]-1-phenylpyrazol-4-ol
SMILESCc1ccc(C2=NN[C@@H](c3c(O)c(C)nn3-c3ccccc3)S2)cc1
InChIInChI=1S/C19H18N4OS/c1-12-8-10-14(11-9-12)18-20-21-19(25-18)16-17(24)13(2)22-23(16)15-6-4-3-5-7-15/h3-11,19,21,24H,1-2H3/t19-/m1/s1
InChIKeyHPDHJDWVOFPNMR-LJQANCHMSA-N
MW350.45 g/mol
LogP3.89
Rot. Bonds3

About 3-methyl-5-[(2R)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]-1-phenylpyrazol-4-ol

3-methyl-5-[(2R)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]-1-phenylpyrazol-4-ol (PubChem CID 2717876) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is 3-methyl-5-[(2R)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]-1-phenylpyrazol-4-ol.

Molecular Properties

Compound Name3-methyl-5-[(2R)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]-1-phenylpyrazol-4-ol
PubChem CID2717876
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC Name3-methyl-5-[(2R)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]-1-phenylpyrazol-4-ol
SMILESCc1ccc(C2=NN[C@@H](c3c(O)c(C)nn3-c3ccccc3)S2)cc1
InChIInChI=1S/C19H18N4OS/c1-12-8-10-14(11-9-12)18-20-21-19(25-18)16-17(24)13(2)22-23(16)15-6-4-3-5-7-15/h3-11,19,21,24H,1-2H3/t19-/m1/s1
InChIKeyHPDHJDWVOFPNMR-LJQANCHMSA-N
XLogP3.89
TPSA62.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-methyl-5-[(2R)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]-1-phenylpyrazol-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-5-(4-methylphenyl)-2-(4-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,3,4-thiadiazole
CID 7305321
(2S)-2,5-diphenyl-2,3-dihydro-1,3,4-thiadiazole
CID 40650711
2-(4-fluorophenyl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole
CID 2871209
5-(4-methylphenyl)-2-(6-methylpyridin-1-ium-2-yl)-2,3-dihydro-1,3,4-thiadiazole
CID 4056541
N,N-dimethyl-4-[(2S)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]aniline
CID 7083907
2-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole
CID 2871317
(1S,2R,3R)-1-[(2R)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]butane-1,2,3,4-tetrol
CID 7272189
2-(3,4-dimethoxyphenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole
CID 2860254
2-(2,4-dichlorophenyl)-5-phenyl-2,3-dihydro-1,3,4-thiadiazole
CID 2861639
(1S,2R,3R,4R)-1-[(2S)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]pentane-1,2,3,4-tetrol
CID 7272191
5-methyl-2-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazole
CID 177150460
(3,5-dimethyl-1-phenylpyrazol-4-yl)methanol
CID 2526674

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(2R)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]-1-phenylpyrazol-4-ol?
The IUPAC name of 3-methyl-5-[(2R)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]-1-phenylpyrazol-4-ol (CID 2717876) is 3-methyl-5-[(2R)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]-1-phenylpyrazol-4-ol.
What is the SMILES notation for 3-methyl-5-[(2R)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]-1-phenylpyrazol-4-ol?
The canonical SMILES for 3-methyl-5-[(2R)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]-1-phenylpyrazol-4-ol is Cc1ccc(C2=NN[C@@H](c3c(O)c(C)nn3-c3ccccc3)S2)cc1.
What is the InChIKey of 3-methyl-5-[(2R)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]-1-phenylpyrazol-4-ol?
The InChIKey is HPDHJDWVOFPNMR-LJQANCHMSA-N. The full InChI is InChI=1S/C19H18N4OS/c1-12-8-10-14(11-9-12)18-20-21-19(25-18)16-17(24)13(2)22-23(16)15-6-4-3-5-7-15/h3-11,19,21,24H,1-2H3/t19-/m1/s1.
What are the key properties of 3-methyl-5-[(2R)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]-1-phenylpyrazol-4-ol?
3-methyl-5-[(2R)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]-1-phenylpyrazol-4-ol has a molecular weight of 350.45 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(2R)-5-(4-methylphenyl)-2,3-dihydro-1,3,4-thiadiazol-2-yl]-1-phenylpyrazol-4-ol is sourced from PubChem (CID 2717876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).