(1S)-1-(3-methyl-1,2,4-thiadiazol-5-yl)ethanamine

C5H9N3S — CID 82417878

IUPAC(1S)-1-(3-methyl-1,2,4-thiadiazol-5-yl)ethanamine
SMILESCc1nsc([C@H](C)N)n1
InChIInChI=1S/C5H9N3S/c1-3(6)5-7-4(2)8-9-5/h3H,6H2,1-2H3/t3-/m0/s1
InChIKeyFJRAHKWXYAVDEQ-VKHMYHEASA-N
MW143.21 g/mol
LogP0.87
Rot. Bonds1

About (1S)-1-(3-methyl-1,2,4-thiadiazol-5-yl)ethanamine

(1S)-1-(3-methyl-1,2,4-thiadiazol-5-yl)ethanamine (PubChem CID 82417878) has the molecular formula C5H9N3S and a molecular weight of 143.21 g/mol. Its IUPAC name is (1S)-1-(3-methyl-1,2,4-thiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-methyl-1,2,4-thiadiazol-5-yl)ethanamine
PubChem CID82417878
Molecular FormulaC5H9N3S
Molecular Weight143.21 g/mol
Exact Mass143.05
IUPAC Name(1S)-1-(3-methyl-1,2,4-thiadiazol-5-yl)ethanamine
SMILESCc1nsc([C@H](C)N)n1
InChIInChI=1S/C5H9N3S/c1-3(6)5-7-4(2)8-9-5/h3H,6H2,1-2H3/t3-/m0/s1
InChIKeyFJRAHKWXYAVDEQ-VKHMYHEASA-N
XLogP0.87
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Methyl-1,2,4-thiadiazol-5-yl)propan-2-amine
CID 86674740
5-Amino-3-(2-aminopropyl)-1,2,4-thiadiazole
CID 83872911
N-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-pentan-3-ylethane-1,2-diamine
CID 125423962
1-[5-(Trifluoromethyl)-1,2,4-thiadiazol-3-yl]ethanamine
CID 82399161
N-[[5-(trifluoromethyl)-1,2,4-thiadiazol-3-yl]methyl]propan-1-amine
CID 83959832
2-Fluoro-2-(3-methyl-1,2,4-thiadiazol-5-yl)propan-1-amine
CID 84022031
2-(3-Methyl-[1,2,4]thiadiazol-5-yl)-ethylamine
CID 55285356
3-methyl-N-(propan-2-yl)-1,2,4-thiadiazol-5-amine
CID 65268654
N'-[(3-methyl-1,2,4-thiadiazol-5-yl)methyl]ethane-1,2-diamine
CID 70458476
N-(1,2,4-thiadiazol-5-ylmethyl)propan-2-amine
CID 82415856
1-(3-Ethyl-1,2,4-thiadiazol-5-yl)methanamine
CID 82417874
(3-Methyl-1,2,4-thiadiazol-5-yl)methanamine
CID 82418720

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-methyl-1,2,4-thiadiazol-5-yl)ethanamine?
The IUPAC name of (1S)-1-(3-methyl-1,2,4-thiadiazol-5-yl)ethanamine (CID 82417878) is (1S)-1-(3-methyl-1,2,4-thiadiazol-5-yl)ethanamine.
What is the SMILES notation for (1S)-1-(3-methyl-1,2,4-thiadiazol-5-yl)ethanamine?
The canonical SMILES for (1S)-1-(3-methyl-1,2,4-thiadiazol-5-yl)ethanamine is Cc1nsc([C@H](C)N)n1.
What is the InChIKey of (1S)-1-(3-methyl-1,2,4-thiadiazol-5-yl)ethanamine?
The InChIKey is FJRAHKWXYAVDEQ-VKHMYHEASA-N. The full InChI is InChI=1S/C5H9N3S/c1-3(6)5-7-4(2)8-9-5/h3H,6H2,1-2H3/t3-/m0/s1.
What are the key properties of (1S)-1-(3-methyl-1,2,4-thiadiazol-5-yl)ethanamine?
(1S)-1-(3-methyl-1,2,4-thiadiazol-5-yl)ethanamine has a molecular weight of 143.21 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-methyl-1,2,4-thiadiazol-5-yl)ethanamine is sourced from PubChem (CID 82417878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).