N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

C13H18N4O2S3 — CID 18776443

IUPACN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCCSc1nnc(SCC(=O)Nc2cc(C(C)(C)C)no2)s1
InChIInChI=1S/C13H18N4O2S3/c1-5-20-11-15-16-12(22-11)21-7-9(18)14-10-6-8(17-19-10)13(2,3)4/h6H,5,7H2,1-4H3,(H,14,18)
InChIKeyXIAZAJOQBSSKKM-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.67
Rot. Bonds6

About N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 18776443) has the molecular formula C13H18N4O2S3 and a molecular weight of 358.51 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID18776443
Molecular FormulaC13H18N4O2S3
Molecular Weight358.51 g/mol
Exact Mass358.06
IUPAC NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCCSc1nnc(SCC(=O)Nc2cc(C(C)(C)C)no2)s1
InChIInChI=1S/C13H18N4O2S3/c1-5-20-11-15-16-12(22-11)21-7-9(18)14-10-6-8(17-19-10)13(2,3)4/h6H,5,7H2,1-4H3,(H,14,18)
InChIKeyXIAZAJOQBSSKKM-UHFFFAOYSA-N
XLogP3.67
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 18776443) is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is CCSc1nnc(SCC(=O)Nc2cc(C(C)(C)C)no2)s1.
What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is XIAZAJOQBSSKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S3/c1-5-20-11-15-16-12(22-11)21-7-9(18)14-10-6-8(17-19-10)13(2,3)4/h6H,5,7H2,1-4H3,(H,14,18).
What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 358.51 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 18776443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).