(3-methoxy-1,2-thiazol-5-yl)methanamine;dihydrochloride

C5H10Cl2N2OS — CID 154857193

IUPAC(3-methoxy-1,2-thiazol-5-yl)methanamine;dihydrochloride
SMILESCOc1cc(CN)sn1.Cl.Cl
InChIInChI=1S/C5H8N2OS.2ClH/c1-8-5-2-4(3-6)9-7-5;;/h2H,3,6H2,1H3;2*1H
InChIKeyJUIKNALGXRMNDM-UHFFFAOYSA-N
MW217.12 g/mol
LogP1.45
Rot. Bonds2

About (3-methoxy-1,2-thiazol-5-yl)methanamine;dihydrochloride

(3-methoxy-1,2-thiazol-5-yl)methanamine;dihydrochloride (PubChem CID 154857193) has the molecular formula C5H10Cl2N2OS and a molecular weight of 217.12 g/mol. Its IUPAC name is (3-methoxy-1,2-thiazol-5-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(3-methoxy-1,2-thiazol-5-yl)methanamine;dihydrochloride
PubChem CID154857193
Molecular FormulaC5H10Cl2N2OS
Molecular Weight217.12 g/mol
Exact Mass215.99
IUPAC Name(3-methoxy-1,2-thiazol-5-yl)methanamine;dihydrochloride
SMILESCOc1cc(CN)sn1.Cl.Cl
InChIInChI=1S/C5H8N2OS.2ClH/c1-8-5-2-4(3-6)9-7-5;;/h2H,3,6H2,1H3;2*1H
InChIKeyJUIKNALGXRMNDM-UHFFFAOYSA-N
XLogP1.45
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.12
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methoxy-1,2-thiazol-5-yl)methanamine;dihydrochloride?
The IUPAC name of (3-methoxy-1,2-thiazol-5-yl)methanamine;dihydrochloride (CID 154857193) is (3-methoxy-1,2-thiazol-5-yl)methanamine;dihydrochloride.
What is the SMILES notation for (3-methoxy-1,2-thiazol-5-yl)methanamine;dihydrochloride?
The canonical SMILES for (3-methoxy-1,2-thiazol-5-yl)methanamine;dihydrochloride is COc1cc(CN)sn1.Cl.Cl.
What is the InChIKey of (3-methoxy-1,2-thiazol-5-yl)methanamine;dihydrochloride?
The InChIKey is JUIKNALGXRMNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS.2ClH/c1-8-5-2-4(3-6)9-7-5;;/h2H,3,6H2,1H3;2*1H.
What are the key properties of (3-methoxy-1,2-thiazol-5-yl)methanamine;dihydrochloride?
(3-methoxy-1,2-thiazol-5-yl)methanamine;dihydrochloride has a molecular weight of 217.12 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-1,2-thiazol-5-yl)methanamine;dihydrochloride is sourced from PubChem (CID 154857193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).