[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride

C6H11ClN2S2 — CID 50944242

IUPAC[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride
SMILESCSCc1nc(CN)cs1.Cl
InChIInChI=1S/C6H10N2S2.ClH/c1-9-4-6-8-5(2-7)3-10-6;/h3H,2,4,7H2,1H3;1H
InChIKeyFUNUOELBHYLYQE-UHFFFAOYSA-N
MW210.75 g/mol
LogP1.89
Rot. Bonds3

About [2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride

[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride (PubChem CID 50944242) has the molecular formula C6H11ClN2S2 and a molecular weight of 210.75 g/mol. Its IUPAC name is [2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride
PubChem CID50944242
Molecular FormulaC6H11ClN2S2
Molecular Weight210.75 g/mol
Exact Mass210.01
IUPAC Name[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride
SMILESCSCc1nc(CN)cs1.Cl
InChIInChI=1S/C6H10N2S2.ClH/c1-9-4-6-8-5(2-7)3-10-6;/h3H,2,4,7H2,1H3;1H
InChIKeyFUNUOELBHYLYQE-UHFFFAOYSA-N
XLogP1.89
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.75
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-Methylthiazole-4-carbothioamide
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(4-Methyl-1,3-thiazol-2-yl)methanamine
CID 4667189
1,3-Thiazol-4-ylmethanamine
CID 15063652
Methyl(((4-(trifluoromethyl)-1,3-thiazol-2-yl)methyl))amine
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2-(4-Methyl-1,3-thiazol-2-yl)ethan-1-amine
CID 3422636
Methyl((4-methyl-1,3-thiazol-2-yl)methyl)amine
CID 3928654
1-((2-Methyl-1,3-thiazol-4-yl)methyl)piperazine
CID 16227460
[(2-Ethyl-1,3-thiazol-4-yl)methyl](methyl)amine
CID 16494968
Methyl[(2-methyl-1,3-thiazol-4-yl)methyl]amine
CID 18939489
Methyl(1,3-thiazol-4-ylmethyl)amine
CID 22450503

Frequently Asked Questions

What is the IUPAC name of [2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride?
The IUPAC name of [2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride (CID 50944242) is [2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride?
The canonical SMILES for [2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride is CSCc1nc(CN)cs1.Cl.
What is the InChIKey of [2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride?
The InChIKey is FUNUOELBHYLYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S2.ClH/c1-9-4-6-8-5(2-7)3-10-6;/h3H,2,4,7H2,1H3;1H.
What are the key properties of [2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride?
[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride has a molecular weight of 210.75 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 50944242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).