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

C12H13N3OS — CID 1444705

IUPACN-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)N(C)c1nnc(-c2ccccc2C)s1
InChIInChI=1S/C12H13N3OS/c1-8-6-4-5-7-10(8)11-13-14-12(17-11)15(3)9(2)16/h4-7H,1-3H3
InChIKeyVUNJHZSQUNUNDP-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.50
Rot. Bonds2

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

N-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 1444705) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is N-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID1444705
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC NameN-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)N(C)c1nnc(-c2ccccc2C)s1
InChIInChI=1S/C12H13N3OS/c1-8-6-4-5-7-10(8)11-13-14-12(17-11)15(3)9(2)16/h4-7H,1-3H3
InChIKeyVUNJHZSQUNUNDP-UHFFFAOYSA-N
XLogP2.50
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 1444705) is N-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)N(C)c1nnc(-c2ccccc2C)s1.
What is the InChIKey of N-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is VUNJHZSQUNUNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-8-6-4-5-7-10(8)11-13-14-12(17-11)15(3)9(2)16/h4-7H,1-3H3.
What are the key properties of N-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
N-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 247.32 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 1444705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).