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

C21H25N3OS — CID 119126449

IUPAC1-(3-methoxyphenyl)-N,N-dimethyl-N'-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
SMILESCOc1cccc(C(CNCc2nc(-c3ccccc3)cs2)N(C)C)c1
InChIInChI=1S/C21H25N3OS/c1-24(2)20(17-10-7-11-18(12-17)25-3)13-22-14-21-23-19(15-26-21)16-8-5-4-6-9-16/h4-12,15,20,22H,13-14H2,1-3H3
InChIKeyLXPYKSLRGGAAQP-UHFFFAOYSA-N
MW367.52 g/mol
LogP4.21
Rot. Bonds8

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

1-(3-methoxyphenyl)-N,N-dimethyl-N'-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine (PubChem CID 119126449) has the molecular formula C21H25N3OS and a molecular weight of 367.52 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N,N-dimethyl-N'-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N,N-dimethyl-N'-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
PubChem CID119126449
Molecular FormulaC21H25N3OS
Molecular Weight367.52 g/mol
Exact Mass367.17
IUPAC Name1-(3-methoxyphenyl)-N,N-dimethyl-N'-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
SMILESCOc1cccc(C(CNCc2nc(-c3ccccc3)cs2)N(C)C)c1
InChIInChI=1S/C21H25N3OS/c1-24(2)20(17-10-7-11-18(12-17)25-3)13-22-14-21-23-19(15-26-21)16-8-5-4-6-9-16/h4-12,15,20,22H,13-14H2,1-3H3
InChIKeyLXPYKSLRGGAAQP-UHFFFAOYSA-N
XLogP4.21
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-(3-methoxyphenyl)-N,N-dimethyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 43823561
N'-ethyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 43177837
N'-(2,2-dimethoxyethyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 63686447
4-[[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]methyl]phenol
CID 43823560
N'-(3-fluoropropyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 81106317
1-(3-methoxyphenyl)-N,N-dimethyl-N'-[(3,4,5-trifluorophenyl)methyl]ethane-1,2-diamine
CID 119126444
N'-but-3-ynyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 55210968
1-(3-methoxyphenyl)-N,N-dimethyl-N'-(1H-pyrrol-3-ylmethyl)ethane-1,2-diamine
CID 66408691
methyl 3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 43398367
methyl 3-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]propanoate
CID 43093101
N',N'-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
CID 62899204
2-N-cyclopropyl-2-N-methyl-1-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propane-1,2-diamine
CID 103648279

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N,N-dimethyl-N'-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-(3-methoxyphenyl)-N,N-dimethyl-N'-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine (CID 119126449) is 1-(3-methoxyphenyl)-N,N-dimethyl-N'-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N,N-dimethyl-N'-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-(3-methoxyphenyl)-N,N-dimethyl-N'-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine is COc1cccc(C(CNCc2nc(-c3ccccc3)cs2)N(C)C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N,N-dimethyl-N'-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is LXPYKSLRGGAAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3OS/c1-24(2)20(17-10-7-11-18(12-17)25-3)13-22-14-21-23-19(15-26-21)16-8-5-4-6-9-16/h4-12,15,20,22H,13-14H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)-N,N-dimethyl-N'-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine?
1-(3-methoxyphenyl)-N,N-dimethyl-N'-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 367.52 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N,N-dimethyl-N'-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 119126449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).