4-tert-butyl-N-(3-chloro-4-fluorophenyl)-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine

C20H19Cl2FN2S — CID 57329668

IUPAC4-tert-butyl-N-(3-chloro-4-fluorophenyl)-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine
SMILESCC(C)(C)c1nc(Nc2ccc(F)c(Cl)c2)sc1Cc1ccc(Cl)cc1
InChIInChI=1S/C20H19Cl2FN2S/c1-20(2,3)18-17(10-12-4-6-13(21)7-5-12)26-19(25-18)24-14-8-9-16(23)15(22)11-14/h4-9,11H,10H2,1-3H3,(H,24,25)
InChIKeyYRYTZMGFZDMFIN-UHFFFAOYSA-N
MW409.36 g/mol
LogP7.22
Rot. Bonds4

About 4-tert-butyl-N-(3-chloro-4-fluorophenyl)-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine

4-tert-butyl-N-(3-chloro-4-fluorophenyl)-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 57329668) has the molecular formula C20H19Cl2FN2S and a molecular weight of 409.36 g/mol. Its IUPAC name is 4-tert-butyl-N-(3-chloro-4-fluorophenyl)-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(3-chloro-4-fluorophenyl)-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine
PubChem CID57329668
Molecular FormulaC20H19Cl2FN2S
Molecular Weight409.36 g/mol
Exact Mass408.06
IUPAC Name4-tert-butyl-N-(3-chloro-4-fluorophenyl)-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine
SMILESCC(C)(C)c1nc(Nc2ccc(F)c(Cl)c2)sc1Cc1ccc(Cl)cc1
InChIInChI=1S/C20H19Cl2FN2S/c1-20(2,3)18-17(10-12-4-6-13(21)7-5-12)26-19(25-18)24-14-8-9-16(23)15(22)11-14/h4-9,11H,10H2,1-3H3,(H,24,25)
InChIKeyYRYTZMGFZDMFIN-UHFFFAOYSA-N
XLogP7.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.36
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-N-(3-chloro-4-fluorophenyl)-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

4-tert-butyl-5-[(4-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-1,3-thiazol-2-amine
CID 57329835
4-tert-butyl-5-[(4-chlorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 141234585
4-tert-butyl-5-[(4-chlorophenyl)methyl]-N-[[4-(dimethylamino)phenyl]methyl]-1,3-thiazol-2-amine
CID 141234580
4-tert-butyl-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine;hydrobromide
CID 141216793
2,4-dibromo-6-[[[4-tert-butyl-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]methyl]phenol
CID 141234584
7-chloro-N-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-amine
CID 43306199
N-(4-chlorophenyl)-4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
CID 86630514
1-[2-(3-chloro-4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 4816637
N-(5-benzyl-4-tert-butyl-1,3-thiazol-2-yl)-2-chlorobenzamide
CID 141313770
methyl 4-chloro-2-(3-chloro-4-fluoroanilino)-1,3-thiazole-5-carboxylate
CID 60823390
N-[[4-tert-butyl-2-(3-chloro-4-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114362661
2-(3-chloro-4-fluoroanilino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 2551101

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3-chloro-4-fluorophenyl)-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-tert-butyl-N-(3-chloro-4-fluorophenyl)-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine (CID 57329668) is 4-tert-butyl-N-(3-chloro-4-fluorophenyl)-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-tert-butyl-N-(3-chloro-4-fluorophenyl)-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-tert-butyl-N-(3-chloro-4-fluorophenyl)-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine is CC(C)(C)c1nc(Nc2ccc(F)c(Cl)c2)sc1Cc1ccc(Cl)cc1.
What is the InChIKey of 4-tert-butyl-N-(3-chloro-4-fluorophenyl)-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is YRYTZMGFZDMFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2FN2S/c1-20(2,3)18-17(10-12-4-6-13(21)7-5-12)26-19(25-18)24-14-8-9-16(23)15(22)11-14/h4-9,11H,10H2,1-3H3,(H,24,25).
What are the key properties of 4-tert-butyl-N-(3-chloro-4-fluorophenyl)-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine?
4-tert-butyl-N-(3-chloro-4-fluorophenyl)-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 409.36 g/mol, XLogP of 7.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(3-chloro-4-fluorophenyl)-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 57329668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).