(2S)-N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine

C14H22N4OS — CID 95901374

IUPAC(2S)-N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine
SMILESCC[C@](C)(NCc1nnc(C(C)(C)C)o1)c1nccs1
InChIInChI=1S/C14H22N4OS/c1-6-14(5,12-15-7-8-20-12)16-9-10-17-18-11(19-10)13(2,3)4/h7-8,16H,6,9H2,1-5H3/t14-/m0/s1
InChIKeySDMIYAKLYWVUQA-AWEZNQCLSA-N
MW294.42 g/mol
LogP3.24
Rot. Bonds5

About (2S)-N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine

(2S)-N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine (PubChem CID 95901374) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is (2S)-N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name(2S)-N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine
PubChem CID95901374
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name(2S)-N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine
SMILESCC[C@](C)(NCc1nnc(C(C)(C)C)o1)c1nccs1
InChIInChI=1S/C14H22N4OS/c1-6-14(5,12-15-7-8-20-12)16-9-10-17-18-11(19-10)13(2,3)4/h7-8,16H,6,9H2,1-5H3/t14-/m0/s1
InChIKeySDMIYAKLYWVUQA-AWEZNQCLSA-N
XLogP3.24
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine?
The IUPAC name of (2S)-N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine (CID 95901374) is (2S)-N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine.
What is the SMILES notation for (2S)-N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine?
The canonical SMILES for (2S)-N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine is CC[C@](C)(NCc1nnc(C(C)(C)C)o1)c1nccs1.
What is the InChIKey of (2S)-N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine?
The InChIKey is SDMIYAKLYWVUQA-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-6-14(5,12-15-7-8-20-12)16-9-10-17-18-11(19-10)13(2,3)4/h7-8,16H,6,9H2,1-5H3/t14-/m0/s1.
What are the key properties of (2S)-N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine?
(2S)-N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine has a molecular weight of 294.42 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine is sourced from PubChem (CID 95901374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).