4-(aminomethyl)-3H-1,3-thiazol-2-one;hydrochloride

C4H7ClN2OS — CID 71756373

IUPAC4-(aminomethyl)-3H-1,3-thiazol-2-one;hydrochloride
SMILESCl.NCc1csc(=O)[nH]1
InChIInChI=1S/C4H6N2OS.ClH/c5-1-3-2-8-4(7)6-3;/h2H,1,5H2,(H,6,7);1H
InChIKeyGESVTIZIQSIKIT-UHFFFAOYSA-N
MW166.63 g/mol
LogP0.32
Rot. Bonds1

About 4-(aminomethyl)-3H-1,3-thiazol-2-one;hydrochloride

4-(aminomethyl)-3H-1,3-thiazol-2-one;hydrochloride (PubChem CID 71756373) has the molecular formula C4H7ClN2OS and a molecular weight of 166.63 g/mol. Its IUPAC name is 4-(aminomethyl)-3H-1,3-thiazol-2-one;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-3H-1,3-thiazol-2-one;hydrochloride
PubChem CID71756373
Molecular FormulaC4H7ClN2OS
Molecular Weight166.63 g/mol
Exact Mass166.00
IUPAC Name4-(aminomethyl)-3H-1,3-thiazol-2-one;hydrochloride
SMILESCl.NCc1csc(=O)[nH]1
InChIInChI=1S/C4H6N2OS.ClH/c5-1-3-2-8-4(7)6-3;/h2H,1,5H2,(H,6,7);1H
InChIKeyGESVTIZIQSIKIT-UHFFFAOYSA-N
XLogP0.32
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.63
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3H-1,3-thiazol-2-one;hydrochloride?
The IUPAC name of 4-(aminomethyl)-3H-1,3-thiazol-2-one;hydrochloride (CID 71756373) is 4-(aminomethyl)-3H-1,3-thiazol-2-one;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-3H-1,3-thiazol-2-one;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-3H-1,3-thiazol-2-one;hydrochloride is Cl.NCc1csc(=O)[nH]1.
What is the InChIKey of 4-(aminomethyl)-3H-1,3-thiazol-2-one;hydrochloride?
The InChIKey is GESVTIZIQSIKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2OS.ClH/c5-1-3-2-8-4(7)6-3;/h2H,1,5H2,(H,6,7);1H.
What are the key properties of 4-(aminomethyl)-3H-1,3-thiazol-2-one;hydrochloride?
4-(aminomethyl)-3H-1,3-thiazol-2-one;hydrochloride has a molecular weight of 166.63 g/mol, XLogP of 0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3H-1,3-thiazol-2-one;hydrochloride is sourced from PubChem (CID 71756373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).