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

C16H16N4OS3 — CID 119041182

IUPACN-(4-methylphenyl)-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1ccc(C)cc1)c1nc(CSc2nnc(C)s2)cs1
InChIInChI=1S/C16H16N4OS3/c1-10-4-6-14(7-5-10)20(12(3)21)15-17-13(8-22-15)9-23-16-19-18-11(2)24-16/h4-8H,9H2,1-3H3
InChIKeyOQJHNMOJTTVKAU-UHFFFAOYSA-N
MW376.53 g/mol
LogP4.59
Rot. Bonds5

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

N-(4-methylphenyl)-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 119041182) has the molecular formula C16H16N4OS3 and a molecular weight of 376.53 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
PubChem CID119041182
Molecular FormulaC16H16N4OS3
Molecular Weight376.53 g/mol
Exact Mass376.05
IUPAC NameN-(4-methylphenyl)-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1ccc(C)cc1)c1nc(CSc2nnc(C)s2)cs1
InChIInChI=1S/C16H16N4OS3/c1-10-4-6-14(7-5-10)20(12(3)21)15-17-13(8-22-15)9-23-16-19-18-11(2)24-16/h4-8H,9H2,1-3H3
InChIKeyOQJHNMOJTTVKAU-UHFFFAOYSA-N
XLogP4.59
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(4-methylphenyl)-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide (CID 119041182) is N-(4-methylphenyl)-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(4-methylphenyl)-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide is CC(=O)N(c1ccc(C)cc1)c1nc(CSc2nnc(C)s2)cs1.
What is the InChIKey of N-(4-methylphenyl)-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is OQJHNMOJTTVKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS3/c1-10-4-6-14(7-5-10)20(12(3)21)15-17-13(8-22-15)9-23-16-19-18-11(2)24-16/h4-8H,9H2,1-3H3.
What are the key properties of N-(4-methylphenyl)-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide?
N-(4-methylphenyl)-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 376.53 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 119041182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).