N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-N-propylacetamide

C20H21N3OS — CID 1444729

IUPACN-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-N-propylacetamide
SMILESCCCN(C(=O)Cc1ccccc1)c1nnc(-c2ccccc2C)s1
InChIInChI=1S/C20H21N3OS/c1-3-13-23(18(24)14-16-10-5-4-6-11-16)20-22-21-19(25-20)17-12-8-7-9-15(17)2/h4-12H,3,13-14H2,1-2H3
InChIKeyQYQWCNKESMKFOE-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.50
Rot. Bonds6

About N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-N-propylacetamide

N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-N-propylacetamide (PubChem CID 1444729) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-N-propylacetamide.

Molecular Properties

Compound NameN-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-N-propylacetamide
PubChem CID1444729
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC NameN-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-N-propylacetamide
SMILESCCCN(C(=O)Cc1ccccc1)c1nnc(-c2ccccc2C)s1
InChIInChI=1S/C20H21N3OS/c1-3-13-23(18(24)14-16-10-5-4-6-11-16)20-22-21-19(25-20)17-12-8-7-9-15(17)2/h4-12H,3,13-14H2,1-2H3
InChIKeyQYQWCNKESMKFOE-UHFFFAOYSA-N
XLogP4.50
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-(2-chlorophenyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 174634834
N-butyl-4-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3230545
N-(2-methoxyethyl)-4-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3230573
N-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1444705
[1-[[4-[5-[butyl-[2-(2-chlorophenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]-3-methylphenyl]methyl]azetidine-3-carbonyl] 1-[[4-[5-[butyl-(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]-3-methylphenyl]methyl]azetidine-3-carboxylate
CID 87317457
2-(3-methoxyphenyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylacetamide
CID 1444776
N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylbutanamide
CID 3230592
2-methoxy-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methylpropyl)benzamide
CID 1444764
N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-N-propylpropanamide
CID 1451633
3-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylbenzamide
CID 1444773
4-phenyl-N-propyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3216733
N-[2-(diethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 7511859

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-N-propylacetamide?
The IUPAC name of N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-N-propylacetamide (CID 1444729) is N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-N-propylacetamide.
What is the SMILES notation for N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-N-propylacetamide?
The canonical SMILES for N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-N-propylacetamide is CCCN(C(=O)Cc1ccccc1)c1nnc(-c2ccccc2C)s1.
What is the InChIKey of N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-N-propylacetamide?
The InChIKey is QYQWCNKESMKFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-3-13-23(18(24)14-16-10-5-4-6-11-16)20-22-21-19(25-20)17-12-8-7-9-15(17)2/h4-12H,3,13-14H2,1-2H3.
What are the key properties of N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-N-propylacetamide?
N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-N-propylacetamide has a molecular weight of 351.48 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-N-propylacetamide is sourced from PubChem (CID 1444729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).