2-[(2R)-2-methyl-5-(4-methylphenyl)-3H-1,3,4-thiadiazol-2-yl]-N-phenylacetamide

C18H19N3OS — CID 7046744

IUPAC2-[(2R)-2-methyl-5-(4-methylphenyl)-3H-1,3,4-thiadiazol-2-yl]-N-phenylacetamide
SMILESCc1ccc(C2=NN[C@@](C)(CC(=O)Nc3ccccc3)S2)cc1
InChIInChI=1S/C18H19N3OS/c1-13-8-10-14(11-9-13)17-20-21-18(2,23-17)12-16(22)19-15-6-4-3-5-7-15/h3-11,21H,12H2,1-2H3,(H,19,22)/t18-/m1/s1
InChIKeySHASTKCDMFXGRF-GOSISDBHSA-N
MW325.44 g/mol
LogP3.74
Rot. Bonds4

About 2-[(2R)-2-methyl-5-(4-methylphenyl)-3H-1,3,4-thiadiazol-2-yl]-N-phenylacetamide

2-[(2R)-2-methyl-5-(4-methylphenyl)-3H-1,3,4-thiadiazol-2-yl]-N-phenylacetamide (PubChem CID 7046744) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 2-[(2R)-2-methyl-5-(4-methylphenyl)-3H-1,3,4-thiadiazol-2-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(2R)-2-methyl-5-(4-methylphenyl)-3H-1,3,4-thiadiazol-2-yl]-N-phenylacetamide
PubChem CID7046744
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name2-[(2R)-2-methyl-5-(4-methylphenyl)-3H-1,3,4-thiadiazol-2-yl]-N-phenylacetamide
SMILESCc1ccc(C2=NN[C@@](C)(CC(=O)Nc3ccccc3)S2)cc1
InChIInChI=1S/C18H19N3OS/c1-13-8-10-14(11-9-13)17-20-21-18(2,23-17)12-16(22)19-15-6-4-3-5-7-15/h3-11,21H,12H2,1-2H3,(H,19,22)/t18-/m1/s1
InChIKeySHASTKCDMFXGRF-GOSISDBHSA-N
XLogP3.74
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-methyl-5-(4-methylphenyl)-3H-1,3,4-thiadiazol-2-yl]acetate
CID 3403257
3-methyl-1-(2-methyl-5-phenyl-3H-1,3,4-thiadiazol-2-yl)pentan-2-one
CID 11616081
3-(4-methylphenyl)-N-phenylpropanamide
CID 2995602
N-(2-anilino-2-oxoethyl)-4-methylbenzamide
CID 4010991
4-(4-methylphenyl)-4-oxo-N-phenylbutanamide
CID 956933
N-(4-methylphenyl)-2-[2-oxo-2-(4-phenylanilino)ethyl]sulfanylacetamide
CID 8880850
2-[[amino-(4-methylanilino)methylidene]amino]-N-phenylacetamide
CID 111073641
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-phenylphenyl)acetamide
CID 9319157
2-[(5R)-2-(4-hydroxyphenyl)-4-oxo-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide
CID 135725449
N-phenylacetamide;toluene
CID 175205531
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
N-phenyl-2-(2,4,6-trimethylphenyl)acetamide
CID 42390776

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-methyl-5-(4-methylphenyl)-3H-1,3,4-thiadiazol-2-yl]-N-phenylacetamide?
The IUPAC name of 2-[(2R)-2-methyl-5-(4-methylphenyl)-3H-1,3,4-thiadiazol-2-yl]-N-phenylacetamide (CID 7046744) is 2-[(2R)-2-methyl-5-(4-methylphenyl)-3H-1,3,4-thiadiazol-2-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(2R)-2-methyl-5-(4-methylphenyl)-3H-1,3,4-thiadiazol-2-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(2R)-2-methyl-5-(4-methylphenyl)-3H-1,3,4-thiadiazol-2-yl]-N-phenylacetamide is Cc1ccc(C2=NN[C@@](C)(CC(=O)Nc3ccccc3)S2)cc1.
What is the InChIKey of 2-[(2R)-2-methyl-5-(4-methylphenyl)-3H-1,3,4-thiadiazol-2-yl]-N-phenylacetamide?
The InChIKey is SHASTKCDMFXGRF-GOSISDBHSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-13-8-10-14(11-9-13)17-20-21-18(2,23-17)12-16(22)19-15-6-4-3-5-7-15/h3-11,21H,12H2,1-2H3,(H,19,22)/t18-/m1/s1.
What are the key properties of 2-[(2R)-2-methyl-5-(4-methylphenyl)-3H-1,3,4-thiadiazol-2-yl]-N-phenylacetamide?
2-[(2R)-2-methyl-5-(4-methylphenyl)-3H-1,3,4-thiadiazol-2-yl]-N-phenylacetamide has a molecular weight of 325.44 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-methyl-5-(4-methylphenyl)-3H-1,3,4-thiadiazol-2-yl]-N-phenylacetamide is sourced from PubChem (CID 7046744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).