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

C14H18N4O2S — CID 43299575

IUPAC2-[(3-amino-4-pyridinyl)sulfanyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
SMILESCC(C)(C)c1cc(NC(=O)CSc2ccncc2N)on1
InChIInChI=1S/C14H18N4O2S/c1-14(2,3)11-6-13(20-18-11)17-12(19)8-21-10-4-5-16-7-9(10)15/h4-7H,8,15H2,1-3H3,(H,17,19)
InChIKeyNYHNDFZNBWYAQZ-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.68
Rot. Bonds4

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

2-[(3-amino-4-pyridinyl)sulfanyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide (PubChem CID 43299575) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[(3-amino-4-pyridinyl)sulfanyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
PubChem CID43299575
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name2-[(3-amino-4-pyridinyl)sulfanyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
SMILESCC(C)(C)c1cc(NC(=O)CSc2ccncc2N)on1
InChIInChI=1S/C14H18N4O2S/c1-14(2,3)11-6-13(20-18-11)17-12(19)8-21-10-4-5-16-7-9(10)15/h4-7H,8,15H2,1-3H3,(H,17,19)
InChIKeyNYHNDFZNBWYAQZ-UHFFFAOYSA-N
XLogP2.68
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-aminophenyl)sulfanyl-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 43299010
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 17437229
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(2,6-dichlorophenyl)sulfanylacetamide
CID 7630749
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 28602799
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methylbutan-2-yl)acetamide
CID 43299864
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 7630825
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 43299634
2-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 81223074
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
CID 43299532
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 66105148
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 7604693
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 18776443

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide (CID 43299575) is 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide is CC(C)(C)c1cc(NC(=O)CSc2ccncc2N)on1.
What is the InChIKey of 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is NYHNDFZNBWYAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-14(2,3)11-6-13(20-18-11)17-12(19)8-21-10-4-5-16-7-9(10)15/h4-7H,8,15H2,1-3H3,(H,17,19).
What are the key properties of 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide?
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 306.39 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-pyridinyl)sulfanyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 43299575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).