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

C4H6Cl2N2S — CID 51064152

IUPAC4-(chloromethyl)-1,3-thiazol-2-amine;hydron;chloride
SMILESNc1nc(CCl)cs1.[Cl-].[H+]
InChIInChI=1S/C4H5ClN2S.ClH/c5-1-3-2-8-4(6)7-3;/h2H,1H2,(H2,6,7);1H
InChIKeyNMAKJOWVEDTHOA-UHFFFAOYSA-N
MW185.08 g/mol
LogP-1.42
Rot. Bonds1

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

4-(chloromethyl)-1,3-thiazol-2-amine;hydron;chloride (PubChem CID 51064152) has the molecular formula C4H6Cl2N2S and a molecular weight of 185.08 g/mol. Its IUPAC name is 4-(chloromethyl)-1,3-thiazol-2-amine;hydron;chloride.

Molecular Properties

Compound Name4-(chloromethyl)-1,3-thiazol-2-amine;hydron;chloride
PubChem CID51064152
Molecular FormulaC4H6Cl2N2S
Molecular Weight185.08 g/mol
Exact Mass183.96
IUPAC Name4-(chloromethyl)-1,3-thiazol-2-amine;hydron;chloride
SMILESNc1nc(CCl)cs1.[Cl-].[H+]
InChIInChI=1S/C4H5ClN2S.ClH/c5-1-3-2-8-4(6)7-3;/h2H,1H2,(H2,6,7);1H
InChIKeyNMAKJOWVEDTHOA-UHFFFAOYSA-N
XLogP-1.42
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.08
LogP ≤ 5-1.42
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;hydron;chloride?
The IUPAC name of 4-(chloromethyl)-1,3-thiazol-2-amine;hydron;chloride (CID 51064152) is 4-(chloromethyl)-1,3-thiazol-2-amine;hydron;chloride.
What is the SMILES notation for 4-(chloromethyl)-1,3-thiazol-2-amine;hydron;chloride?
The canonical SMILES for 4-(chloromethyl)-1,3-thiazol-2-amine;hydron;chloride is Nc1nc(CCl)cs1.[Cl-].[H+].
What is the InChIKey of 4-(chloromethyl)-1,3-thiazol-2-amine;hydron;chloride?
The InChIKey is NMAKJOWVEDTHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN2S.ClH/c5-1-3-2-8-4(6)7-3;/h2H,1H2,(H2,6,7);1H.
What are the key properties of 4-(chloromethyl)-1,3-thiazol-2-amine;hydron;chloride?
4-(chloromethyl)-1,3-thiazol-2-amine;hydron;chloride has a molecular weight of 185.08 g/mol, XLogP of -1.42, 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;hydron;chloride is sourced from PubChem (CID 51064152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).