4-(chloromethyl)-1,3-thiazol-2-amine;dihydrochloride

C4H7Cl3N2S — CID 18939809

IUPAC4-(chloromethyl)-1,3-thiazol-2-amine;dihydrochloride
SMILESCl.Cl.Nc1nc(CCl)cs1
InChIInChI=1S/C4H5ClN2S.2ClH/c5-1-3-2-8-4(6)7-3;;/h2H,1H2,(H2,6,7);2*1H
InChIKeyGWIYGRUXPUMOLB-UHFFFAOYSA-N
MW221.54 g/mol
LogP2.31
Rot. Bonds1

About 4-(chloromethyl)-1,3-thiazol-2-amine;dihydrochloride

4-(chloromethyl)-1,3-thiazol-2-amine;dihydrochloride (PubChem CID 18939809) has the molecular formula C4H7Cl3N2S and a molecular weight of 221.54 g/mol. Its IUPAC name is 4-(chloromethyl)-1,3-thiazol-2-amine;dihydrochloride.

Molecular Properties

Compound Name4-(chloromethyl)-1,3-thiazol-2-amine;dihydrochloride
PubChem CID18939809
Molecular FormulaC4H7Cl3N2S
Molecular Weight221.54 g/mol
Exact Mass219.94
IUPAC Name4-(chloromethyl)-1,3-thiazol-2-amine;dihydrochloride
SMILESCl.Cl.Nc1nc(CCl)cs1
InChIInChI=1S/C4H5ClN2S.2ClH/c5-1-3-2-8-4(6)7-3;;/h2H,1H2,(H2,6,7);2*1H
InChIKeyGWIYGRUXPUMOLB-UHFFFAOYSA-N
XLogP2.31
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.54
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1,3-thiazol-2-amine;dihydrochloride?
The IUPAC name of 4-(chloromethyl)-1,3-thiazol-2-amine;dihydrochloride (CID 18939809) is 4-(chloromethyl)-1,3-thiazol-2-amine;dihydrochloride.
What is the SMILES notation for 4-(chloromethyl)-1,3-thiazol-2-amine;dihydrochloride?
The canonical SMILES for 4-(chloromethyl)-1,3-thiazol-2-amine;dihydrochloride is Cl.Cl.Nc1nc(CCl)cs1.
What is the InChIKey of 4-(chloromethyl)-1,3-thiazol-2-amine;dihydrochloride?
The InChIKey is GWIYGRUXPUMOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2S.2ClH/c5-1-3-2-8-4(6)7-3;;/h2H,1H2,(H2,6,7);2*1H.
What are the key properties of 4-(chloromethyl)-1,3-thiazol-2-amine;dihydrochloride?
4-(chloromethyl)-1,3-thiazol-2-amine;dihydrochloride has a molecular weight of 221.54 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1,3-thiazol-2-amine;dihydrochloride is sourced from PubChem (CID 18939809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).