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

C12H18N4OS — CID 104900079

IUPAC(1S,2S)-2-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCC[C@H](C)[C@H](N)c1nc(Cc2nc(C)cs2)no1
InChIInChI=1S/C12H18N4OS/c1-4-7(2)11(13)12-15-9(16-17-12)5-10-14-8(3)6-18-10/h6-7,11H,4-5,13H2,1-3H3/t7-,11-/m0/s1
InChIKeyCDRYPQMSFRPQBB-CPCISQLKSA-N
MW266.37 g/mol
LogP2.47
Rot. Bonds5

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

(1S,2S)-2-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine (PubChem CID 104900079) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is (1S,2S)-2-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine.

Molecular Properties

Compound Name(1S,2S)-2-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
PubChem CID104900079
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name(1S,2S)-2-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCC[C@H](C)[C@H](N)c1nc(Cc2nc(C)cs2)no1
InChIInChI=1S/C12H18N4OS/c1-4-7(2)11(13)12-15-9(16-17-12)5-10-14-8(3)6-18-10/h6-7,11H,4-5,13H2,1-3H3/t7-,11-/m0/s1
InChIKeyCDRYPQMSFRPQBB-CPCISQLKSA-N
XLogP2.47
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S,2S)-2-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-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

2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65222711
5-(diethoxymethyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole
CID 63771839
5-[1-(azetidin-3-yl)ethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole
CID 116682512
(S)-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898638
1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63351963
[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 63846620
2-[5-[(1S)-1-amino-2-methylbutyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 104900337
N-ethyl-2-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 55123400
(1S)-1-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900000
(1S)-2-methyl-1-[3-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104900198
3-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-amine
CID 55169574
(1S)-2-methyl-1-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104900136

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine?
The IUPAC name of (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) is (1S,2S)-2-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine.
What is the SMILES notation for (1S,2S)-2-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine?
The canonical SMILES for (1S,2S)-2-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine is CC[C@H](C)[C@H](N)c1nc(Cc2nc(C)cs2)no1.
What is the InChIKey of (1S,2S)-2-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine?
The InChIKey is CDRYPQMSFRPQBB-CPCISQLKSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-4-7(2)11(13)12-15-9(16-17-12)5-10-14-8(3)6-18-10/h6-7,11H,4-5,13H2,1-3H3/t7-,11-/m0/s1.
What are the key properties of (1S,2S)-2-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine?
(1S,2S)-2-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine has a molecular weight of 266.37 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine is sourced from PubChem (CID 104900079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).