(5-methyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride

C4H8ClN3S — CID 11615231

IUPAC(5-methyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride
SMILESCc1nnc(CN)s1.Cl
InChIInChI=1S/C4H7N3S.ClH/c1-3-6-7-4(2-5)8-3;/h2,5H2,1H3;1H
InChIKeyLJFOGPILZPMPEV-UHFFFAOYSA-N
MW165.65 g/mol
LogP0.73
Rot. Bonds1

About (5-methyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride

(5-methyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride (PubChem CID 11615231) has the molecular formula C4H8ClN3S and a molecular weight of 165.65 g/mol. Its IUPAC name is (5-methyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-methyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride
PubChem CID11615231
Molecular FormulaC4H8ClN3S
Molecular Weight165.65 g/mol
Exact Mass165.01
IUPAC Name(5-methyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride
SMILESCc1nnc(CN)s1.Cl
InChIInChI=1S/C4H7N3S.ClH/c1-3-6-7-4(2-5)8-3;/h2,5H2,1H3;1H
InChIKeyLJFOGPILZPMPEV-UHFFFAOYSA-N
XLogP0.73
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.65
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-Methyl-1,3,4-thiadiazol-2-yl)methanamine
CID 11615232
1-(5-Methyl-1,3,4-thiadiazol-2-yl)ethan-1-amine
CID 20655905
(5-Ethyl-1,3,4-thiadiazol-2-yl)methanamine
CID 46318317
(5-Tert-butyl-1,3,4-thiadiazol-2-yl)methanamine
CID 64982687
Methyl[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amine
CID 65704784
(5-Ethyl-1,3,4-thiadiazol-2-yl)methanamine hydrochloride
CID 50998533
(5-Tert-butyl-1,3,4-thiadiazol-2-yl)methanamine hydrochloride
CID 71755750
(5-(Methylsulfanyl)-1,3,4-thiadiazol-2-yl)methanamine
CID 75481759
2-(5-Methyl-1,3,4-thiadiazol-2-yl)ethan-1-amine dihydrochloride
CID 75530759
3-(5-Methyl-1,3,4-thiadiazol-2-yl)propan-1-amine hydrochloride
CID 137951172
2-(5-Methyl-1,3,4-thiadiazol-2-yl)ethanamine
CID 45123413
3-(5-Methyl-1,3,4-thiadiazol-2-yl)propan-1-amine
CID 65726171

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride?
The IUPAC name of (5-methyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride (CID 11615231) is (5-methyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride.
What is the SMILES notation for (5-methyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride?
The canonical SMILES for (5-methyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride is Cc1nnc(CN)s1.Cl.
What is the InChIKey of (5-methyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride?
The InChIKey is LJFOGPILZPMPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3S.ClH/c1-3-6-7-4(2-5)8-3;/h2,5H2,1H3;1H.
What are the key properties of (5-methyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride?
(5-methyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride has a molecular weight of 165.65 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 11615231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).