[2-(aminomethyl)-1,3-thiazol-5-yl]methanol;dihydrochloride

C5H10Cl2N2OS — CID 178200033

IUPAC[2-(aminomethyl)-1,3-thiazol-5-yl]methanol;dihydrochloride
SMILESCl.Cl.NCc1ncc(CO)s1
InChIInChI=1S/C5H8N2OS.2ClH/c6-1-5-7-2-4(3-8)9-5;;/h2,8H,1,3,6H2;2*1H
InChIKeyLGULVSLZKCSLRW-UHFFFAOYSA-N
MW217.12 g/mol
LogP0.94
Rot. Bonds2

About [2-(aminomethyl)-1,3-thiazol-5-yl]methanol;dihydrochloride

[2-(aminomethyl)-1,3-thiazol-5-yl]methanol;dihydrochloride (PubChem CID 178200033) has the molecular formula C5H10Cl2N2OS and a molecular weight of 217.12 g/mol. Its IUPAC name is [2-(aminomethyl)-1,3-thiazol-5-yl]methanol;dihydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)-1,3-thiazol-5-yl]methanol;dihydrochloride
PubChem CID178200033
Molecular FormulaC5H10Cl2N2OS
Molecular Weight217.12 g/mol
Exact Mass215.99
IUPAC Name[2-(aminomethyl)-1,3-thiazol-5-yl]methanol;dihydrochloride
SMILESCl.Cl.NCc1ncc(CO)s1
InChIInChI=1S/C5H8N2OS.2ClH/c6-1-5-7-2-4(3-8)9-5;;/h2,8H,1,3,6H2;2*1H
InChIKeyLGULVSLZKCSLRW-UHFFFAOYSA-N
XLogP0.94
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.12
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1,3-thiazol-5-yl]methanol;dihydrochloride?
The IUPAC name of [2-(aminomethyl)-1,3-thiazol-5-yl]methanol;dihydrochloride (CID 178200033) is [2-(aminomethyl)-1,3-thiazol-5-yl]methanol;dihydrochloride.
What is the SMILES notation for [2-(aminomethyl)-1,3-thiazol-5-yl]methanol;dihydrochloride?
The canonical SMILES for [2-(aminomethyl)-1,3-thiazol-5-yl]methanol;dihydrochloride is Cl.Cl.NCc1ncc(CO)s1.
What is the InChIKey of [2-(aminomethyl)-1,3-thiazol-5-yl]methanol;dihydrochloride?
The InChIKey is LGULVSLZKCSLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS.2ClH/c6-1-5-7-2-4(3-8)9-5;;/h2,8H,1,3,6H2;2*1H.
What are the key properties of [2-(aminomethyl)-1,3-thiazol-5-yl]methanol;dihydrochloride?
[2-(aminomethyl)-1,3-thiazol-5-yl]methanol;dihydrochloride has a molecular weight of 217.12 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-1,3-thiazol-5-yl]methanol;dihydrochloride is sourced from PubChem (CID 178200033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).