N-(2,6-dimethylphenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzamide

C19H19N3OS2 — CID 39368879

IUPACN-(2,6-dimethylphenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzamide
SMILESCc1nnc(SCc2ccc(C(=O)Nc3c(C)cccc3C)cc2)s1
InChIInChI=1S/C19H19N3OS2/c1-12-5-4-6-13(2)17(12)20-18(23)16-9-7-15(8-10-16)11-24-19-22-21-14(3)25-19/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyKVZXGSATXCSCSK-UHFFFAOYSA-N
MW369.52 g/mol
LogP5.01
Rot. Bonds5

About N-(2,6-dimethylphenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzamide

N-(2,6-dimethylphenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzamide (PubChem CID 39368879) has the molecular formula C19H19N3OS2 and a molecular weight of 369.52 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzamide
PubChem CID39368879
Molecular FormulaC19H19N3OS2
Molecular Weight369.52 g/mol
Exact Mass369.10
IUPAC NameN-(2,6-dimethylphenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzamide
SMILESCc1nnc(SCc2ccc(C(=O)Nc3c(C)cccc3C)cc2)s1
InChIInChI=1S/C19H19N3OS2/c1-12-5-4-6-13(2)17(12)20-18(23)16-9-7-15(8-10-16)11-24-19-22-21-14(3)25-19/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyKVZXGSATXCSCSK-UHFFFAOYSA-N
XLogP5.01
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.52
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzamide (CID 39368879) is N-(2,6-dimethylphenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzamide is Cc1nnc(SCc2ccc(C(=O)Nc3c(C)cccc3C)cc2)s1.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzamide?
The InChIKey is KVZXGSATXCSCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS2/c1-12-5-4-6-13(2)17(12)20-18(23)16-9-7-15(8-10-16)11-24-19-22-21-14(3)25-19/h4-10H,11H2,1-3H3,(H,20,23).
What are the key properties of N-(2,6-dimethylphenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzamide?
N-(2,6-dimethylphenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzamide has a molecular weight of 369.52 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzamide is sourced from PubChem (CID 39368879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).