4-(aminomethyl)-N-methyl-1,3-thiazol-2-amine;dihydrochloride

C5H11Cl2N3S — CID 50988374

IUPAC4-(aminomethyl)-N-methyl-1,3-thiazol-2-amine;dihydrochloride
SMILESCNc1nc(CN)cs1.Cl.Cl
InChIInChI=1S/C5H9N3S.2ClH/c1-7-5-8-4(2-6)3-9-5;;/h3H,2,6H2,1H3,(H,7,8);2*1H
InChIKeyXNCAVSMDBFEXAZ-UHFFFAOYSA-N
MW216.14 g/mol
LogP1.49
Rot. Bonds2

About 4-(aminomethyl)-N-methyl-1,3-thiazol-2-amine;dihydrochloride

4-(aminomethyl)-N-methyl-1,3-thiazol-2-amine;dihydrochloride (PubChem CID 50988374) has the molecular formula C5H11Cl2N3S and a molecular weight of 216.14 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-1,3-thiazol-2-amine;dihydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-1,3-thiazol-2-amine;dihydrochloride
PubChem CID50988374
Molecular FormulaC5H11Cl2N3S
Molecular Weight216.14 g/mol
Exact Mass215.01
IUPAC Name4-(aminomethyl)-N-methyl-1,3-thiazol-2-amine;dihydrochloride
SMILESCNc1nc(CN)cs1.Cl.Cl
InChIInChI=1S/C5H9N3S.2ClH/c1-7-5-8-4(2-6)3-9-5;;/h3H,2,6H2,1H3,(H,7,8);2*1H
InChIKeyXNCAVSMDBFEXAZ-UHFFFAOYSA-N
XLogP1.49
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.14
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-1,3-thiazol-2-amine;dihydrochloride?
The IUPAC name of 4-(aminomethyl)-N-methyl-1,3-thiazol-2-amine;dihydrochloride (CID 50988374) is 4-(aminomethyl)-N-methyl-1,3-thiazol-2-amine;dihydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-1,3-thiazol-2-amine;dihydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-methyl-1,3-thiazol-2-amine;dihydrochloride is CNc1nc(CN)cs1.Cl.Cl.
What is the InChIKey of 4-(aminomethyl)-N-methyl-1,3-thiazol-2-amine;dihydrochloride?
The InChIKey is XNCAVSMDBFEXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S.2ClH/c1-7-5-8-4(2-6)3-9-5;;/h3H,2,6H2,1H3,(H,7,8);2*1H.
What are the key properties of 4-(aminomethyl)-N-methyl-1,3-thiazol-2-amine;dihydrochloride?
4-(aminomethyl)-N-methyl-1,3-thiazol-2-amine;dihydrochloride has a molecular weight of 216.14 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-1,3-thiazol-2-amine;dihydrochloride is sourced from PubChem (CID 50988374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).