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

C3H7ClN2S — CID 135504747

IUPAC4,5-dihydro-1,3-thiazol-3-ium-2-amine chloride
SMILESNC1=[NH+]CCS1.[Cl-]
InChIInChI=1S/C3H6N2S.ClH/c4-3-5-1-2-6-3;/h1-2H2,(H2,4,5);1H
InChIKeyCODJLHDDIDUKMD-UHFFFAOYSA-N
MW138.62 g/mol
LogP-4.87
Rot. Bonds

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

4,5-dihydro-1,3-thiazol-3-ium-2-amine chloride (PubChem CID 135504747) has the molecular formula C3H7ClN2S and a molecular weight of 138.62 g/mol. Its IUPAC name is 4,5-dihydro-1,3-thiazol-3-ium-2-amine chloride.

Molecular Properties

Compound Name4,5-dihydro-1,3-thiazol-3-ium-2-amine chloride
PubChem CID135504747
Molecular FormulaC3H7ClN2S
Molecular Weight138.62 g/mol
Exact Mass138.00
IUPAC Name4,5-dihydro-1,3-thiazol-3-ium-2-amine chloride
SMILESNC1=[NH+]CCS1.[Cl-]
InChIInChI=1S/C3H6N2S.ClH/c4-3-5-1-2-6-3;/h1-2H2,(H2,4,5);1H
InChIKeyCODJLHDDIDUKMD-UHFFFAOYSA-N
XLogP-4.87
TPSA39.99 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.62
LogP ≤ 5-4.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-2-thiazoline hydrochloride
CID 520926
Diaminothiazoline
CID 53892820
4,5-Dihydro-1,3-thiazol-3-ium-2-amine
CID 3958041
2-Amino thiazoline chloride
CID 43822546
4,5-Dihydro-1,3-thiazol-3-ium-2-amine tetrafluoroborate
CID 174824235
4,5-Dihydro-1,3-thiazol-3-ium-2-amine iodide
CID 177701985
[Amino(ethylsulfanyl)methylidene]-ethylazanium
CID 101002215

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1,3-thiazol-3-ium-2-amine chloride?
The IUPAC name of 4,5-dihydro-1,3-thiazol-3-ium-2-amine chloride (CID 135504747) is 4,5-dihydro-1,3-thiazol-3-ium-2-amine chloride.
What is the SMILES notation for 4,5-dihydro-1,3-thiazol-3-ium-2-amine chloride?
The canonical SMILES for 4,5-dihydro-1,3-thiazol-3-ium-2-amine chloride is NC1=[NH+]CCS1.[Cl-].
What is the InChIKey of 4,5-dihydro-1,3-thiazol-3-ium-2-amine chloride?
The InChIKey is CODJLHDDIDUKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2S.ClH/c4-3-5-1-2-6-3;/h1-2H2,(H2,4,5);1H.
What are the key properties of 4,5-dihydro-1,3-thiazol-3-ium-2-amine chloride?
4,5-dihydro-1,3-thiazol-3-ium-2-amine chloride has a molecular weight of 138.62 g/mol, XLogP of -4.87, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,3-thiazol-3-ium-2-amine chloride is sourced from PubChem (CID 135504747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).