4,5-dihydro-1,3-thiazol-2-amine chloride

C3H6ClN2S- — CID 43822546

IUPAC4,5-dihydro-1,3-thiazol-2-amine chloride
SMILESNC1=NCCS1.[Cl-]
InChIInChI=1S/C3H6N2S.ClH/c4-3-5-1-2-6-3;/h1-2H2,(H2,4,5);1H/p-1
InChIKeyCODJLHDDIDUKMD-UHFFFAOYSA-M
MW137.62 g/mol
LogP-2.95
Rot. Bonds

About 4,5-dihydro-1,3-thiazol-2-amine chloride

4,5-dihydro-1,3-thiazol-2-amine chloride (PubChem CID 43822546) has the molecular formula C3H6ClN2S- and a molecular weight of 137.62 g/mol. Its IUPAC name is 4,5-dihydro-1,3-thiazol-2-amine chloride.

Molecular Properties

Compound Name4,5-dihydro-1,3-thiazol-2-amine chloride
PubChem CID43822546
Molecular FormulaC3H6ClN2S-
Molecular Weight137.62 g/mol
Exact Mass136.99
IUPAC Name4,5-dihydro-1,3-thiazol-2-amine chloride
SMILESNC1=NCCS1.[Cl-]
InChIInChI=1S/C3H6N2S.ClH/c4-3-5-1-2-6-3;/h1-2H2,(H2,4,5);1H/p-1
InChIKeyCODJLHDDIDUKMD-UHFFFAOYSA-M
XLogP-2.95
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.62
LogP ≤ 5-2.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1,3-thiazol-2-amine chloride?
The IUPAC name of 4,5-dihydro-1,3-thiazol-2-amine chloride (CID 43822546) is 4,5-dihydro-1,3-thiazol-2-amine chloride.
What is the SMILES notation for 4,5-dihydro-1,3-thiazol-2-amine chloride?
The canonical SMILES for 4,5-dihydro-1,3-thiazol-2-amine chloride is NC1=NCCS1.[Cl-].
What is the InChIKey of 4,5-dihydro-1,3-thiazol-2-amine chloride?
The InChIKey is CODJLHDDIDUKMD-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6N2S.ClH/c4-3-5-1-2-6-3;/h1-2H2,(H2,4,5);1H/p-1.
What are the key properties of 4,5-dihydro-1,3-thiazol-2-amine chloride?
4,5-dihydro-1,3-thiazol-2-amine chloride has a molecular weight of 137.62 g/mol, XLogP of -2.95, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,3-thiazol-2-amine chloride is sourced from PubChem (CID 43822546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).