4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-N,N-dimethylaniline

C19H20N2OS — CID 84567447

IUPAC4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-N,N-dimethylaniline
SMILESCOc1ccc(Cc2nc(-c3ccc(N(C)C)cc3)cs2)cc1
InChIInChI=1S/C19H20N2OS/c1-21(2)16-8-6-15(7-9-16)18-13-23-19(20-18)12-14-4-10-17(22-3)11-5-14/h4-11,13H,12H2,1-3H3
InChIKeyKTMPMUPDWGIXSV-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.48
Rot. Bonds5

About 4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-N,N-dimethylaniline

4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-N,N-dimethylaniline (PubChem CID 84567447) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-N,N-dimethylaniline
PubChem CID84567447
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-N,N-dimethylaniline
SMILESCOc1ccc(Cc2nc(-c3ccc(N(C)C)cc3)cs2)cc1
InChIInChI=1S/C19H20N2OS/c1-21(2)16-8-6-15(7-9-16)18-13-23-19(20-18)12-14-4-10-17(22-3)11-5-14/h4-11,13H,12H2,1-3H3
InChIKeyKTMPMUPDWGIXSV-UHFFFAOYSA-N
XLogP4.48
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]phenyl]propanamide
CID 84567446
4-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole
CID 84567479
2-[(4-methoxyphenyl)methyl]-4-(4-methoxy-3-propan-2-ylphenyl)-1,3-thiazole
CID 84567465
4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]phenol
CID 53391458
2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethylazanium
CID 7241954
6-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 84567419
4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]iminomethyl]-N,N-dimethylaniline
CID 682583
4-(4-ethoxy-3-nitrophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole
CID 84567435
4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-amine
CID 18526481
N-[bis[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 4086590
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 5230090
[4-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152013

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-N,N-dimethylaniline (CID 84567447) is 4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-N,N-dimethylaniline is COc1ccc(Cc2nc(-c3ccc(N(C)C)cc3)cs2)cc1.
What is the InChIKey of 4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-N,N-dimethylaniline?
The InChIKey is KTMPMUPDWGIXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-21(2)16-8-6-15(7-9-16)18-13-23-19(20-18)12-14-4-10-17(22-3)11-5-14/h4-11,13H,12H2,1-3H3.
What are the key properties of 4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-N,N-dimethylaniline?
4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-N,N-dimethylaniline has a molecular weight of 324.45 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]-N,N-dimethylaniline is sourced from PubChem (CID 84567447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).