N-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride

C12H13Cl3N2S — CID 120558401

IUPACN-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
SMILESCCNCc1nc(-c2ccc(Cl)c(Cl)c2)cs1.Cl
InChIInChI=1S/C12H12Cl2N2S.ClH/c1-2-15-6-12-16-11(7-17-12)8-3-4-9(13)10(14)5-8;/h3-5,7,15H,2,6H2,1H3;1H
InChIKeyZXYLAIVZOQIPHQ-UHFFFAOYSA-N
MW323.68 g/mol
LogP4.65
Rot. Bonds4

About N-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride

N-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride (PubChem CID 120558401) has the molecular formula C12H13Cl3N2S and a molecular weight of 323.68 g/mol. Its IUPAC name is N-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
PubChem CID120558401
Molecular FormulaC12H13Cl3N2S
Molecular Weight323.68 g/mol
Exact Mass321.99
IUPAC NameN-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
SMILESCCNCc1nc(-c2ccc(Cl)c(Cl)c2)cs1.Cl
InChIInChI=1S/C12H12Cl2N2S.ClH/c1-2-15-6-12-16-11(7-17-12)8-3-4-9(13)10(14)5-8;/h3-5,7,15H,2,6H2,1H3;1H
InChIKeyZXYLAIVZOQIPHQ-UHFFFAOYSA-N
XLogP4.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.68
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62544339
N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543018
N-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
CID 120558381
N-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
CID 120558378
N-[[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
CID 120558434
3-[2-(ethylaminomethyl)-1,3-thiazol-4-yl]benzonitrile
CID 63990527
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine
CID 82103307
N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62544977
N-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62544495
1-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 3299476
N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62542694
methyl 4-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]benzoate
CID 58127683

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride?
The IUPAC name of N-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride (CID 120558401) is N-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride?
The canonical SMILES for N-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride is CCNCc1nc(-c2ccc(Cl)c(Cl)c2)cs1.Cl.
What is the InChIKey of N-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride?
The InChIKey is ZXYLAIVZOQIPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2S.ClH/c1-2-15-6-12-16-11(7-17-12)8-3-4-9(13)10(14)5-8;/h3-5,7,15H,2,6H2,1H3;1H.
What are the key properties of N-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride?
N-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride has a molecular weight of 323.68 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride is sourced from PubChem (CID 120558401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).