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

C10H14N4OS — CID 104900256

IUPAC(1S,2S)-2-methyl-1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCC[C@H](C)[C@H](N)c1nc(-c2cscn2)no1
InChIInChI=1S/C10H14N4OS/c1-3-6(2)8(11)10-13-9(14-15-10)7-4-16-5-12-7/h4-6,8H,3,11H2,1-2H3/t6-,8-/m0/s1
InChIKeyRBTZBCYWESDUFK-XPUUQOCRSA-N
MW238.32 g/mol
LogP2.24
Rot. Bonds4

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

(1S,2S)-2-methyl-1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine (PubChem CID 104900256) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is (1S,2S)-2-methyl-1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine.

Molecular Properties

Compound Name(1S,2S)-2-methyl-1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
PubChem CID104900256
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name(1S,2S)-2-methyl-1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
SMILESCC[C@H](C)[C@H](N)c1nc(-c2cscn2)no1
InChIInChI=1S/C10H14N4OS/c1-3-6(2)8(11)10-13-9(14-15-10)7-4-16-5-12-7/h4-6,8H,3,11H2,1-2H3/t6-,8-/m0/s1
InChIKeyRBTZBCYWESDUFK-XPUUQOCRSA-N
XLogP2.24
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43622133
(1S,2S)-2-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 103832881
2-methyl-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43627786
(1S)-2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104899989
(1S,2S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 29047795
(1-methylpyrazol-4-yl)-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 113279655
3-phenyl-1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 114918110
(1S)-1-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 103399514
(1S)-2-methyl-1-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104900334
(1S,2S)-2-methyl-1-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104900335
1-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 107923527
1-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 107280219

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-methyl-1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The IUPAC name of (1S,2S)-2-methyl-1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine (CID 104900256) is (1S,2S)-2-methyl-1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine.
What is the SMILES notation for (1S,2S)-2-methyl-1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The canonical SMILES for (1S,2S)-2-methyl-1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine is CC[C@H](C)[C@H](N)c1nc(-c2cscn2)no1.
What is the InChIKey of (1S,2S)-2-methyl-1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
The InChIKey is RBTZBCYWESDUFK-XPUUQOCRSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-3-6(2)8(11)10-13-9(14-15-10)7-4-16-5-12-7/h4-6,8H,3,11H2,1-2H3/t6-,8-/m0/s1.
What are the key properties of (1S,2S)-2-methyl-1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine?
(1S,2S)-2-methyl-1-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine has a molecular weight of 238.32 g/mol, XLogP of 2.24, 4 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-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine is sourced from PubChem (CID 104900256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).