N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide

C15H19N3OS2 — CID 1094109

IUPACN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2nnc(C(C)(C)C)s2)cc1
InChIInChI=1S/C15H19N3OS2/c1-10-5-7-11(8-6-10)20-9-12(19)16-14-18-17-13(21-14)15(2,3)4/h5-8H,9H2,1-4H3,(H,16,18,19)
InChIKeyFRPYPHUAKAAJEL-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.87
Rot. Bonds4

About N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 1094109) has the molecular formula C15H19N3OS2 and a molecular weight of 321.47 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide
PubChem CID1094109
Molecular FormulaC15H19N3OS2
Molecular Weight321.47 g/mol
Exact Mass321.10
IUPAC NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2nnc(C(C)(C)C)s2)cc1
InChIInChI=1S/C15H19N3OS2/c1-10-5-7-11(8-6-10)20-9-12(19)16-14-18-17-13(21-14)15(2,3)4/h5-8H,9H2,1-4H3,(H,16,18,19)
InChIKeyFRPYPHUAKAAJEL-UHFFFAOYSA-N
XLogP3.87
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Acetamide, N-(5-((phenylmethyl)thio)-1,3,4-thiadiazol-2-yl)-
CID 101472
2,2-Dimethyl-N-(5-phenethyl-[1,3,4]thiadiazol-2-yl)-propionamide
CID 821488
N-[5-(4-Fluoro-benzylsulfanylmethyl)-[1,3,4]thiadiazol-2-yl]-3-methyl-butyramide
CID 921781
N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-2-phenylmethanesulfonyl-acetamide
CID 1091332
2-[(2-tert-butyl-5-methylphenyl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2059969
2-(benzenesulfonyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2990341
N-(5-Isopropyl-[1,3,4]thiadiazol-2-yl)-2-(toluene-4-sulfonyl)-acetamide
CID 3163429
3-(benzenesulfonyl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide
CID 3163459
N-(5-Isopropyl-[1,3,4]thiadiazol-2-yl)-3-phenylmethanesulfonyl-propionamide
CID 6488988
N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-(phenylthio)acetamide
CID 700480
N-(5-Methoxymethyl-[1,3,4]thiadiazol-2-yl)-2-p-tolylsulfanyl-acetamide
CID 649650
2-Benzylsulfanyl-N-(5-ethoxymethyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 652910

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide (CID 1094109) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)Nc2nnc(C(C)(C)C)s2)cc1.
What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is FRPYPHUAKAAJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS2/c1-10-5-7-11(8-6-10)20-9-12(19)16-14-18-17-13(21-14)15(2,3)4/h5-8H,9H2,1-4H3,(H,16,18,19).
What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide?
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 321.47 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 1094109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).