2-(4-tert-butylphenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide

C14H17N3OS2 — CID 5219477

IUPAC2-(4-tert-butylphenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)(C)c1ccc(SCC(=O)Nc2nncs2)cc1
InChIInChI=1S/C14H17N3OS2/c1-14(2,3)10-4-6-11(7-5-10)19-8-12(18)16-13-17-15-9-20-13/h4-7,9H,8H2,1-3H3,(H,16,17,18)
InChIKeyULSRISSCFSWDMK-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.57
Rot. Bonds4

About 2-(4-tert-butylphenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide

2-(4-tert-butylphenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 5219477) has the molecular formula C14H17N3OS2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID5219477
Molecular FormulaC14H17N3OS2
Molecular Weight307.44 g/mol
Exact Mass307.08
IUPAC Name2-(4-tert-butylphenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)(C)c1ccc(SCC(=O)Nc2nncs2)cc1
InChIInChI=1S/C14H17N3OS2/c1-14(2,3)10-4-6-11(7-5-10)19-8-12(18)16-13-17-15-9-20-13/h4-7,9H,8H2,1-3H3,(H,16,17,18)
InChIKeyULSRISSCFSWDMK-UHFFFAOYSA-N
XLogP3.57
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29369356
2-phenylsulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 35523950
2-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 7847408
2-(4-acetamidophenyl)sulfanyl-N-(4-tert-butylphenyl)acetamide
CID 40604506
2-(4-tert-butylphenyl)sulfanyl-N-(1,2,4-triazol-4-yl)acetamide
CID 4008461
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 6501060
2-(4-bromophenyl)sulfanyl-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)acetamide
CID 55908702
2-(4-tert-butylphenyl)sulfanyl-N-(3,5-dichlorophenyl)acetamide
CID 3453386
2-(4-tert-butylphenyl)sulfanyl-N-(4-ethylphenyl)acetamide
CID 3309206
2-(4-bromophenyl)sulfanyl-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide
CID 16551571
2-(tert-butylamino)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 47277389
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 39923211

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-tert-butylphenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 5219477) is 2-(4-tert-butylphenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-tert-butylphenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-tert-butylphenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide is CC(C)(C)c1ccc(SCC(=O)Nc2nncs2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is ULSRISSCFSWDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS2/c1-14(2,3)10-4-6-11(7-5-10)19-8-12(18)16-13-17-15-9-20-13/h4-7,9H,8H2,1-3H3,(H,16,17,18).
What are the key properties of 2-(4-tert-butylphenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-(4-tert-butylphenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 307.44 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 5219477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).