4-[4-(4-methylimidazol-1-yl)phenyl]-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine

C19H13Cl3N4S — CID 58910643

IUPAC4-[4-(4-methylimidazol-1-yl)phenyl]-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine
SMILESCc1cn(-c2ccc(-c3csc(Nc4c(Cl)cc(Cl)cc4Cl)n3)cc2)cn1
InChIInChI=1S/C19H13Cl3N4S/c1-11-8-26(10-23-11)14-4-2-12(3-5-14)17-9-27-19(24-17)25-18-15(21)6-13(20)7-16(18)22/h2-10H,1H3,(H,24,25)
InChIKeyJEVOGYRCFBMFKL-UHFFFAOYSA-N
MW435.77 g/mol
LogP7.01
Rot. Bonds4

About 4-[4-(4-methylimidazol-1-yl)phenyl]-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine

4-[4-(4-methylimidazol-1-yl)phenyl]-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine (PubChem CID 58910643) has the molecular formula C19H13Cl3N4S and a molecular weight of 435.77 g/mol. Its IUPAC name is 4-[4-(4-methylimidazol-1-yl)phenyl]-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-(4-methylimidazol-1-yl)phenyl]-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine
PubChem CID58910643
Molecular FormulaC19H13Cl3N4S
Molecular Weight435.77 g/mol
Exact Mass433.99
IUPAC Name4-[4-(4-methylimidazol-1-yl)phenyl]-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine
SMILESCc1cn(-c2ccc(-c3csc(Nc4c(Cl)cc(Cl)cc4Cl)n3)cc2)cn1
InChIInChI=1S/C19H13Cl3N4S/c1-11-8-26(10-23-11)14-4-2-12(3-5-14)17-9-27-19(24-17)25-18-15(21)6-13(20)7-16(18)22/h2-10H,1H3,(H,24,25)
InChIKeyJEVOGYRCFBMFKL-UHFFFAOYSA-N
XLogP7.01
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.77
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-bromophenyl)-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine
CID 151197403
3-N-(1-tert-butylsulfanylethyl)-2,4,6-trimethyl-1-N-[4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]benzene-1,3-diamine
CID 59429786
N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 58910535
3-N-ethyl-3-N,4,6-trimethyl-1-N-[4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]benzene-1,3-diamine
CID 58910975
4-(4-chlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 86624674
1-N,4-dimethyl-3-N-[4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]-1-N-propylbenzene-1,3-diamine
CID 58910697
4-naphthalen-2-yl-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine
CID 58911073
N-(2,6-difluorophenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 166634637
[4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]methanol
CID 53485878
2-methyl-6-(4-methylimidazol-1-yl)-N-(2,4,6-trichlorophenyl)pyrimidin-4-amine
CID 59771356
4-(3-chlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 86624681
N-(2,4-difluorophenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 166635065

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methylimidazol-1-yl)phenyl]-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-(4-methylimidazol-1-yl)phenyl]-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine (CID 58910643) is 4-[4-(4-methylimidazol-1-yl)phenyl]-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-(4-methylimidazol-1-yl)phenyl]-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-(4-methylimidazol-1-yl)phenyl]-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine is Cc1cn(-c2ccc(-c3csc(Nc4c(Cl)cc(Cl)cc4Cl)n3)cc2)cn1.
What is the InChIKey of 4-[4-(4-methylimidazol-1-yl)phenyl]-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine?
The InChIKey is JEVOGYRCFBMFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl3N4S/c1-11-8-26(10-23-11)14-4-2-12(3-5-14)17-9-27-19(24-17)25-18-15(21)6-13(20)7-16(18)22/h2-10H,1H3,(H,24,25).
What are the key properties of 4-[4-(4-methylimidazol-1-yl)phenyl]-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine?
4-[4-(4-methylimidazol-1-yl)phenyl]-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine has a molecular weight of 435.77 g/mol, XLogP of 7.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylimidazol-1-yl)phenyl]-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 58910643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).