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

C12H14BrClN2S — CID 120558381

IUPACN-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
SMILESCCNCc1nc(-c2cccc(Br)c2)cs1.Cl
InChIInChI=1S/C12H13BrN2S.ClH/c1-2-14-7-12-15-11(8-16-12)9-4-3-5-10(13)6-9;/h3-6,8,14H,2,7H2,1H3;1H
InChIKeyQVGMBIOCOHJQDS-UHFFFAOYSA-N
MW333.68 g/mol
LogP4.10
Rot. Bonds4

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

N-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride (PubChem CID 120558381) has the molecular formula C12H14BrClN2S and a molecular weight of 333.68 g/mol. Its IUPAC name is N-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
PubChem CID120558381
Molecular FormulaC12H14BrClN2S
Molecular Weight333.68 g/mol
Exact Mass331.97
IUPAC NameN-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
SMILESCCNCc1nc(-c2cccc(Br)c2)cs1.Cl
InChIInChI=1S/C12H13BrN2S.ClH/c1-2-14-7-12-15-11(8-16-12)9-4-3-5-10(13)6-9;/h3-6,8,14H,2,7H2,1H3;1H
InChIKeyQVGMBIOCOHJQDS-UHFFFAOYSA-N
XLogP4.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.68
LogP ≤ 54.10
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
3-[2-(ethylaminomethyl)-1,3-thiazol-4-yl]benzonitrile
CID 63990527
N-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
CID 120558401
1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine
CID 116964967
N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62544977
2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 9173965
2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine
CID 115347390
4-(3-bromophenyl)-2-[(3,5-dimethylphenyl)methyl]-1,3-thiazole
CID 79832251
4-(3-bromophenyl)-2-[(4-methylphenyl)sulfanylmethyl]-1,3-thiazole
CID 79832250
N-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
CID 120558378
2-amino-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pentanamide;hydrochloride
CID 119264520

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride?
The IUPAC name of N-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride (CID 120558381) is N-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride?
The canonical SMILES for N-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride is CCNCc1nc(-c2cccc(Br)c2)cs1.Cl.
What is the InChIKey of N-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride?
The InChIKey is QVGMBIOCOHJQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2S.ClH/c1-2-14-7-12-15-11(8-16-12)9-4-3-5-10(13)6-9;/h3-6,8,14H,2,7H2,1H3;1H.
What are the key properties of N-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride?
N-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride has a molecular weight of 333.68 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride is sourced from PubChem (CID 120558381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).