5-[[2-(2-chlorophenoxy)ethyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride

C13H17Cl2N3OS — CID 120897808

IUPAC5-[[2-(2-chlorophenoxy)ethyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCN(CCOc1ccccc1Cl)Cc1cnc(N)s1.Cl
InChIInChI=1S/C13H16ClN3OS.ClH/c1-17(9-10-8-16-13(15)19-10)6-7-18-12-5-3-2-4-11(12)14;/h2-5,8H,6-7,9H2,1H3,(H2,15,16);1H
InChIKeyJDUBCAAYOGDZJV-UHFFFAOYSA-N
MW334.27 g/mol
LogP3.31
Rot. Bonds6

About 5-[[2-(2-chlorophenoxy)ethyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride

5-[[2-(2-chlorophenoxy)ethyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120897808) has the molecular formula C13H17Cl2N3OS and a molecular weight of 334.27 g/mol. Its IUPAC name is 5-[[2-(2-chlorophenoxy)ethyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[2-(2-chlorophenoxy)ethyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120897808
Molecular FormulaC13H17Cl2N3OS
Molecular Weight334.27 g/mol
Exact Mass333.05
IUPAC Name5-[[2-(2-chlorophenoxy)ethyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCN(CCOc1ccccc1Cl)Cc1cnc(N)s1.Cl
InChIInChI=1S/C13H16ClN3OS.ClH/c1-17(9-10-8-16-13(15)19-10)6-7-18-12-5-3-2-4-11(12)14;/h2-5,8H,6-7,9H2,1H3,(H2,15,16);1H
InChIKeyJDUBCAAYOGDZJV-UHFFFAOYSA-N
XLogP3.31
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.27
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazol-2-amine
CID 79771856
5-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 120897457
5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120902294
5-[(2-methoxy-N-methylanilino)methyl]-1,3-thiazol-2-amine
CID 79772599
4-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1,2,5-oxadiazole-3-carboxamide
CID 62688700
N-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 120902202
5-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazol-2-amine
CID 113370258
5-[[methyl-[(1-phenylcyclopropyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120904382
3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 104741559
N-[2-(2-chlorophenoxy)ethyl]-N-methyl-2-pyridin-4-ylethanamine
CID 75402095
3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 64524072
2-(2-chlorophenoxy)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylethanamine
CID 27122658

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-chlorophenoxy)ethyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[2-(2-chlorophenoxy)ethyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120897808) is 5-[[2-(2-chlorophenoxy)ethyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[2-(2-chlorophenoxy)ethyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[2-(2-chlorophenoxy)ethyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride is CN(CCOc1ccccc1Cl)Cc1cnc(N)s1.Cl.
What is the InChIKey of 5-[[2-(2-chlorophenoxy)ethyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is JDUBCAAYOGDZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3OS.ClH/c1-17(9-10-8-16-13(15)19-10)6-7-18-12-5-3-2-4-11(12)14;/h2-5,8H,6-7,9H2,1H3,(H2,15,16);1H.
What are the key properties of 5-[[2-(2-chlorophenoxy)ethyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[2-(2-chlorophenoxy)ethyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 334.27 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-chlorophenoxy)ethyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120897808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).