2-(1,3-thiazol-2-ylmethylsulfanyl)ethanamine;dihydrochloride

C6H12Cl2N2S2 — CID 21446953

IUPAC2-(1,3-thiazol-2-ylmethylsulfanyl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCSCc1nccs1
InChIInChI=1S/C6H10N2S2.2ClH/c7-1-3-9-5-6-8-2-4-10-6;;/h2,4H,1,3,5,7H2;2*1H
InChIKeyVQQFHKLOGOGGHA-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.18
Rot. Bonds4

About 2-(1,3-thiazol-2-ylmethylsulfanyl)ethanamine;dihydrochloride

2-(1,3-thiazol-2-ylmethylsulfanyl)ethanamine;dihydrochloride (PubChem CID 21446953) has the molecular formula C6H12Cl2N2S2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-ylmethylsulfanyl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(1,3-thiazol-2-ylmethylsulfanyl)ethanamine;dihydrochloride
PubChem CID21446953
Molecular FormulaC6H12Cl2N2S2
Molecular Weight247.22 g/mol
Exact Mass245.98
IUPAC Name2-(1,3-thiazol-2-ylmethylsulfanyl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCSCc1nccs1
InChIInChI=1S/C6H10N2S2.2ClH/c7-1-3-9-5-6-8-2-4-10-6;;/h2,4H,1,3,5,7H2;2*1H
InChIKeyVQQFHKLOGOGGHA-UHFFFAOYSA-N
XLogP2.18
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]guanidine
CID 20567731
2-(1,3-thiazol-2-ylmethylsulfanyl)acetamide
CID 56981215
carbamothioic S-acid;methane;2-(1,3-thiazol-2-ylmethylsulfanyl)ethylcarbamothioic S-acid
CID 88679811
1,1,1-trifluoro-3-(1,3-thiazol-2-ylmethylsulfanyl)propan-2-ol
CID 102562642
2-(chloromethyl)-1,3-thiazole;hydrochloride
CID 23043559
3-(methylamino)-3-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethylamino]prop-2-enenitrile
CID 70541836
3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine
CID 12923406
2-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
CID 62669491
2-(4-methylphenyl)sulfonyl-N'-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]ethanimidamide
CID 54339906
2-(1,3-thiazol-2-yl)ethanol;hydrochloride
CID 173116939
2-[[2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]methylsulfanyl]ethanamine
CID 15592304
2-[4-(2-aminoethylsulfanylmethyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 43249455

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-ylmethylsulfanyl)ethanamine;dihydrochloride?
The IUPAC name of 2-(1,3-thiazol-2-ylmethylsulfanyl)ethanamine;dihydrochloride (CID 21446953) is 2-(1,3-thiazol-2-ylmethylsulfanyl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-(1,3-thiazol-2-ylmethylsulfanyl)ethanamine;dihydrochloride?
The canonical SMILES for 2-(1,3-thiazol-2-ylmethylsulfanyl)ethanamine;dihydrochloride is Cl.Cl.NCCSCc1nccs1.
What is the InChIKey of 2-(1,3-thiazol-2-ylmethylsulfanyl)ethanamine;dihydrochloride?
The InChIKey is VQQFHKLOGOGGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S2.2ClH/c7-1-3-9-5-6-8-2-4-10-6;;/h2,4H,1,3,5,7H2;2*1H.
What are the key properties of 2-(1,3-thiazol-2-ylmethylsulfanyl)ethanamine;dihydrochloride?
2-(1,3-thiazol-2-ylmethylsulfanyl)ethanamine;dihydrochloride has a molecular weight of 247.22 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-ylmethylsulfanyl)ethanamine;dihydrochloride is sourced from PubChem (CID 21446953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).