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

C11H16N4OS — CID 55120861

IUPACN-tert-butyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine
SMILESCc1csc(Cc2noc(NC(C)(C)C)n2)n1
InChIInChI=1S/C11H16N4OS/c1-7-6-17-9(12-7)5-8-13-10(16-15-8)14-11(2,3)4/h6H,5H2,1-4H3,(H,13,14,15)
InChIKeyOKACAPUMLRLPHQ-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.64
Rot. Bonds3

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

N-tert-butyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine (PubChem CID 55120861) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is N-tert-butyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-tert-butyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine
PubChem CID55120861
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC NameN-tert-butyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine
SMILESCc1csc(Cc2noc(NC(C)(C)C)n2)n1
InChIInChI=1S/C11H16N4OS/c1-7-6-17-9(12-7)5-8-13-10(16-15-8)14-11(2,3)4/h6H,5H2,1-4H3,(H,13,14,15)
InChIKeyOKACAPUMLRLPHQ-UHFFFAOYSA-N
XLogP2.64
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-tert-butyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 55123400
N,3,3-trimethyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63352279
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 94605740
5-(diethoxymethyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole
CID 63771839
1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63351963
2,3-dimethyl-2-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
CID 62797543
1-cyclopropyl-N-methyl-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 55201084
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104914913
(1S,2S)-2-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104900079
2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65222711
N-methyl-1-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 65242981
[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 63846620

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-tert-butyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine (CID 55120861) is N-tert-butyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-tert-butyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-tert-butyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine is Cc1csc(Cc2noc(NC(C)(C)C)n2)n1.
What is the InChIKey of N-tert-butyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine?
The InChIKey is OKACAPUMLRLPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-7-6-17-9(12-7)5-8-13-10(16-15-8)14-11(2,3)4/h6H,5H2,1-4H3,(H,13,14,15).
What are the key properties of N-tert-butyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine?
N-tert-butyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine has a molecular weight of 252.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 55120861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).