ethane;5-methyl-1,2,4-thiadiazol-3-amine

C5H11N3S — CID 145154256

IUPACethane;5-methyl-1,2,4-thiadiazol-3-amine
SMILESCC.Cc1nc(N)ns1
InChIInChI=1S/C3H5N3S.C2H6/c1-2-5-3(4)6-7-2;1-2/h1H3,(H2,4,6);1-2H3
InChIKeyTXSVRRFQJBYKAE-UHFFFAOYSA-N
MW145.23 g/mol
LogP1.45
Rot. Bonds

About ethane;5-methyl-1,2,4-thiadiazol-3-amine

ethane;5-methyl-1,2,4-thiadiazol-3-amine (PubChem CID 145154256) has the molecular formula C5H11N3S and a molecular weight of 145.23 g/mol. Its IUPAC name is ethane;5-methyl-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Nameethane;5-methyl-1,2,4-thiadiazol-3-amine
PubChem CID145154256
Molecular FormulaC5H11N3S
Molecular Weight145.23 g/mol
Exact Mass145.07
IUPAC Nameethane;5-methyl-1,2,4-thiadiazol-3-amine
SMILESCC.Cc1nc(N)ns1
InChIInChI=1S/C3H5N3S.C2H6/c1-2-5-3(4)6-7-2;1-2/h1H3,(H2,4,6);1-2H3
InChIKeyTXSVRRFQJBYKAE-UHFFFAOYSA-N
XLogP1.45
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Dimethyl-1,2,4-thiadiazole
CID 13028086
5-Amino-3-methyl-1,2,4-thiadiazole
CID 350639
5-Methyl-1,2,4-thiadiazol-3-amine
CID 12246462
5-Ethyl-1,2,4-thiadiazol-3-amine
CID 12246463
5-(Propan-2-yl)-1,2,4-thiadiazol-3-amine
CID 12246467
3,5-Diethyl-1,2,4-thiadiazole
CID 67571441
3-Fluoro-5-methyl-1,2,4-thiadiazole
CID 59049200
5-(2-Methylpropyl)-1,2,4-thiadiazol-3-amine
CID 64543255
5-Propyl-1,2,4-thiadiazol-3-amine
CID 12246464
5-Pentyl-1,2,4-thiadiazol-3-amine
CID 12246466
5-Tert-butyl-1,2,4-thiadiazol-3-amine
CID 12246468
3-Ethylsulfanyl-5-methyl-1,2,4-thiadiazole
CID 21052294

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-1,2,4-thiadiazol-3-amine?
The IUPAC name of ethane;5-methyl-1,2,4-thiadiazol-3-amine (CID 145154256) is ethane;5-methyl-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for ethane;5-methyl-1,2,4-thiadiazol-3-amine?
The canonical SMILES for ethane;5-methyl-1,2,4-thiadiazol-3-amine is CC.Cc1nc(N)ns1.
What is the InChIKey of ethane;5-methyl-1,2,4-thiadiazol-3-amine?
The InChIKey is TXSVRRFQJBYKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3S.C2H6/c1-2-5-3(4)6-7-2;1-2/h1H3,(H2,4,6);1-2H3.
What are the key properties of ethane;5-methyl-1,2,4-thiadiazol-3-amine?
ethane;5-methyl-1,2,4-thiadiazol-3-amine has a molecular weight of 145.23 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 145154256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).