N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,4-dimethylaniline

C12H13ClN2S — CID 104878720

IUPACN-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,4-dimethylaniline
SMILESCc1ccc(NCc2ncc(Cl)s2)cc1C
InChIInChI=1S/C12H13ClN2S/c1-8-3-4-10(5-9(8)2)14-7-12-15-6-11(13)16-12/h3-6,14H,7H2,1-2H3
InChIKeyJAJFWGWQVGGESX-UHFFFAOYSA-N
MW252.77 g/mol
LogP4.03
Rot. Bonds3

About N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,4-dimethylaniline

N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,4-dimethylaniline (PubChem CID 104878720) has the molecular formula C12H13ClN2S and a molecular weight of 252.77 g/mol. Its IUPAC name is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,4-dimethylaniline.

Molecular Properties

Compound NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,4-dimethylaniline
PubChem CID104878720
Molecular FormulaC12H13ClN2S
Molecular Weight252.77 g/mol
Exact Mass252.05
IUPAC NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,4-dimethylaniline
SMILESCc1ccc(NCc2ncc(Cl)s2)cc1C
InChIInChI=1S/C12H13ClN2S/c1-8-3-4-10(5-9(8)2)14-7-12-15-6-11(13)16-12/h3-6,14H,7H2,1-2H3
InChIKeyJAJFWGWQVGGESX-UHFFFAOYSA-N
XLogP4.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.77
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Fluoro-5-(2-methyl-1,3-thiazol-5-yl)aniline
CID 39241968
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)aniline
CID 155676623
4-[2-(2-Methylpropyl)-1,3-thiazol-5-yl]aniline
CID 102291136
2-Chloro-4-[2-(2-methylpropyl)-1,3-thiazol-5-yl]aniline
CID 102291137
4-(2-Propyl-1,3-thiazol-5-yl)aniline
CID 130019457
4-[2-[[2-(4-fluorophenyl)ethylamino]methyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline
CID 53271898
4-[2-[[2-(2-fluorophenyl)ethylamino]methyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline
CID 53271917
4-[2-[[2-(3-fluorophenyl)ethylamino]methyl]-1,3-thiazol-5-yl]-N,N-dimethylaniline
CID 53272427
N,N-dimethyl-4-[2-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]-1,3-thiazol-5-yl]aniline
CID 53272479
2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)aniline
CID 54868545
2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)aniline
CID 54868673
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(trifluoromethyl)aniline
CID 54868709

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,4-dimethylaniline?
The IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,4-dimethylaniline (CID 104878720) is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,4-dimethylaniline.
What is the SMILES notation for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,4-dimethylaniline?
The canonical SMILES for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,4-dimethylaniline is Cc1ccc(NCc2ncc(Cl)s2)cc1C.
What is the InChIKey of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,4-dimethylaniline?
The InChIKey is JAJFWGWQVGGESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2S/c1-8-3-4-10(5-9(8)2)14-7-12-15-6-11(13)16-12/h3-6,14H,7H2,1-2H3.
What are the key properties of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,4-dimethylaniline?
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,4-dimethylaniline has a molecular weight of 252.77 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,4-dimethylaniline is sourced from PubChem (CID 104878720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).