N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine;hydrochloride

C15H22ClN3OS — CID 14386

IUPACN'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine;hydrochloride
SMILESCOc1ccc(CN(CCN(C)C)c2nccs2)cc1.Cl
InChIInChI=1S/C15H21N3OS.ClH/c1-17(2)9-10-18(15-16-8-11-20-15)12-13-4-6-14(19-3)7-5-13;/h4-8,11H,9-10,12H2,1-3H3;1H
InChIKeyGSDXPNOJFAITBE-UHFFFAOYSA-N
MW327.88 g/mol
LogP3.14
Rot. Bonds7

About N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine;hydrochloride

N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine;hydrochloride (PubChem CID 14386) has the molecular formula C15H22ClN3OS and a molecular weight of 327.88 g/mol. Its IUPAC name is N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine;hydrochloride
PubChem CID14386
Molecular FormulaC15H22ClN3OS
Molecular Weight327.88 g/mol
Exact Mass327.12
IUPAC NameN'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine;hydrochloride
SMILESCOc1ccc(CN(CCN(C)C)c2nccs2)cc1.Cl
InChIInChI=1S/C15H21N3OS.ClH/c1-17(2)9-10-18(15-16-8-11-20-15)12-13-4-6-14(19-3)7-5-13;/h4-8,11H,9-10,12H2,1-3H3;1H
InChIKeyGSDXPNOJFAITBE-UHFFFAOYSA-N
XLogP3.14
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.88
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine;hydrochloride?
The IUPAC name of N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine;hydrochloride (CID 14386) is N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine;hydrochloride is COc1ccc(CN(CCN(C)C)c2nccs2)cc1.Cl.
What is the InChIKey of N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine;hydrochloride?
The InChIKey is GSDXPNOJFAITBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS.ClH/c1-17(2)9-10-18(15-16-8-11-20-15)12-13-4-6-14(19-3)7-5-13;/h4-8,11H,9-10,12H2,1-3H3;1H.
What are the key properties of N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine;hydrochloride?
N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine;hydrochloride has a molecular weight of 327.88 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 14386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).