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

C15H21N3OS — CID 14387

IUPACN'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine
SMILESCOc1ccc(CN(CCN(C)C)c2nccs2)cc1
InChIInChI=1S/C15H21N3OS/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
InChIKeyKYBJXENQEZJILU-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.72
Rot. Bonds7

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

N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine (PubChem CID 14387) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine
PubChem CID14387
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC NameN'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine
SMILESCOc1ccc(CN(CCN(C)C)c2nccs2)cc1
InChIInChI=1S/C15H21N3OS/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
InChIKeyKYBJXENQEZJILU-UHFFFAOYSA-N
XLogP2.72
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.72
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?
The IUPAC name of N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine (CID 14387) is N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine is COc1ccc(CN(CCN(C)C)c2nccs2)cc1.
What is the InChIKey of N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine?
The InChIKey is KYBJXENQEZJILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/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.
What are the key properties of N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine?
N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine has a molecular weight of 291.42 g/mol, XLogP of 2.72, 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 is sourced from PubChem (CID 14387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).