3-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylbenzamide

C20H21N3OS — CID 1444773

IUPAC3-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylbenzamide
SMILESCc1cccc(C(=O)N(c2nnc(-c3ccccc3C)s2)C(C)C)c1
InChIInChI=1S/C20H21N3OS/c1-13(2)23(19(24)16-10-7-8-14(3)12-16)20-22-21-18(25-20)17-11-6-5-9-15(17)4/h5-13H,1-4H3
InChIKeyPSJLUWUGUZGXNO-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.88
Rot. Bonds4

About 3-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylbenzamide

3-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylbenzamide (PubChem CID 1444773) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is 3-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylbenzamide
PubChem CID1444773
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name3-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylbenzamide
SMILESCc1cccc(C(=O)N(c2nnc(-c3ccccc3C)s2)C(C)C)c1
InChIInChI=1S/C20H21N3OS/c1-13(2)23(19(24)16-10-7-8-14(3)12-16)20-22-21-18(25-20)17-11-6-5-9-15(17)4/h5-13H,1-4H3
InChIKeyPSJLUWUGUZGXNO-UHFFFAOYSA-N
XLogP4.88
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylbenzamide?
The IUPAC name of 3-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylbenzamide (CID 1444773) is 3-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylbenzamide is Cc1cccc(C(=O)N(c2nnc(-c3ccccc3C)s2)C(C)C)c1.
What is the InChIKey of 3-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylbenzamide?
The InChIKey is PSJLUWUGUZGXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-13(2)23(19(24)16-10-7-8-14(3)12-16)20-22-21-18(25-20)17-11-6-5-9-15(17)4/h5-13H,1-4H3.
What are the key properties of 3-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylbenzamide?
3-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylbenzamide has a molecular weight of 351.48 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 1444773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).