2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride

C12H17ClN2OS — CID 115618496

IUPAC2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride
SMILESCc1nc(C)c(CCNCc2ccco2)s1.Cl
InChIInChI=1S/C12H16N2OS.ClH/c1-9-12(16-10(2)14-9)5-6-13-8-11-4-3-7-15-11;/h3-4,7,13H,5-6,8H2,1-2H3;1H
InChIKeySLQIRCOWXHFRCK-UHFFFAOYSA-N
MW272.80 g/mol
LogP3.11
Rot. Bonds5

About 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride

2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride (PubChem CID 115618496) has the molecular formula C12H17ClN2OS and a molecular weight of 272.80 g/mol. Its IUPAC name is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride
PubChem CID115618496
Molecular FormulaC12H17ClN2OS
Molecular Weight272.80 g/mol
Exact Mass272.08
IUPAC Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride
SMILESCc1nc(C)c(CCNCc2ccco2)s1.Cl
InChIInChI=1S/C12H16N2OS.ClH/c1-9-12(16-10(2)14-9)5-6-13-8-11-4-3-7-15-11;/h3-4,7,13H,5-6,8H2,1-2H3;1H
InChIKeySLQIRCOWXHFRCK-UHFFFAOYSA-N
XLogP3.11
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 53.11
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

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(furan-2-yl)propan-2-amine
CID 64540987
N-(furan-2-ylmethyl)-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 82102767
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 78996318
N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 9167847
N-(furan-2-ylmethyl)-4,7-dimethyl-1,3-benzothiazol-2-amine
CID 71300260
1-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine;hydrochloride
CID 6462424
N-[2-(furan-2-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 47015184
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-phenylpropan-1-amine
CID 64541630
2-amino-5-[3-(furan-2-ylmethylamino)propyl]-4-methyl-1H-pyrimidin-6-one;hydrochloride
CID 135539665
1-N-(furan-2-ylmethyl)-3-methylbutane-1,3-diamine
CID 64679315
1-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 4723153

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride?
The IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride (CID 115618496) is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride is Cc1nc(C)c(CCNCc2ccco2)s1.Cl.
What is the InChIKey of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride?
The InChIKey is SLQIRCOWXHFRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS.ClH/c1-9-12(16-10(2)14-9)5-6-13-8-11-4-3-7-15-11;/h3-4,7,13H,5-6,8H2,1-2H3;1H.
What are the key properties of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride?
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride has a molecular weight of 272.80 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride is sourced from PubChem (CID 115618496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).