4-tert-butyl-5-[(4-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-1,3-thiazol-2-amine

C22H25ClN2S — CID 57329835

IUPAC4-tert-butyl-5-[(4-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-1,3-thiazol-2-amine
SMILESCc1cccc(C)c1Nc1nc(C(C)(C)C)c(Cc2ccc(Cl)cc2)s1
InChIInChI=1S/C22H25ClN2S/c1-14-7-6-8-15(2)19(14)24-21-25-20(22(3,4)5)18(26-21)13-16-9-11-17(23)12-10-16/h6-12H,13H2,1-5H3,(H,24,25)
InChIKeyMXMZFGSNBOMABN-UHFFFAOYSA-N
MW384.98 g/mol
LogP7.05
Rot. Bonds4

About 4-tert-butyl-5-[(4-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-1,3-thiazol-2-amine

4-tert-butyl-5-[(4-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-1,3-thiazol-2-amine (PubChem CID 57329835) has the molecular formula C22H25ClN2S and a molecular weight of 384.98 g/mol. Its IUPAC name is 4-tert-butyl-5-[(4-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-tert-butyl-5-[(4-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-1,3-thiazol-2-amine
PubChem CID57329835
Molecular FormulaC22H25ClN2S
Molecular Weight384.98 g/mol
Exact Mass384.14
IUPAC Name4-tert-butyl-5-[(4-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-1,3-thiazol-2-amine
SMILESCc1cccc(C)c1Nc1nc(C(C)(C)C)c(Cc2ccc(Cl)cc2)s1
InChIInChI=1S/C22H25ClN2S/c1-14-7-6-8-15(2)19(14)24-21-25-20(22(3,4)5)18(26-21)13-16-9-11-17(23)12-10-16/h6-12H,13H2,1-5H3,(H,24,25)
InChIKeyMXMZFGSNBOMABN-UHFFFAOYSA-N
XLogP7.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.98
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-(3-chloro-4-fluorophenyl)-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine
CID 57329668
N-[4-tert-butyl-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-chlorobenzamide
CID 71617406
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
4-tert-butyl-5-[(4-chlorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 141234585
N-(5-benzyl-4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzamide;hydrobromide
CID 141313772
4-tert-butyl-N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 57329751
2,4-dibromo-6-[[[4-tert-butyl-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]methyl]phenol
CID 141234584
N-(5-benzyl-4-tert-butyl-1,3-thiazol-2-yl)-2-chlorobenzamide
CID 141313770
5-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-1,3,4-thiadiazol-2-amine
CID 21330908
N-[4-tert-butyl-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3,5-dinitrobenzamide
CID 71617410
5-[(4-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 82054667

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-[(4-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-tert-butyl-5-[(4-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-1,3-thiazol-2-amine (CID 57329835) is 4-tert-butyl-5-[(4-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-tert-butyl-5-[(4-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-tert-butyl-5-[(4-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-1,3-thiazol-2-amine is Cc1cccc(C)c1Nc1nc(C(C)(C)C)c(Cc2ccc(Cl)cc2)s1.
What is the InChIKey of 4-tert-butyl-5-[(4-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-1,3-thiazol-2-amine?
The InChIKey is MXMZFGSNBOMABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2S/c1-14-7-6-8-15(2)19(14)24-21-25-20(22(3,4)5)18(26-21)13-16-9-11-17(23)12-10-16/h6-12H,13H2,1-5H3,(H,24,25).
What are the key properties of 4-tert-butyl-5-[(4-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-1,3-thiazol-2-amine?
4-tert-butyl-5-[(4-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-1,3-thiazol-2-amine has a molecular weight of 384.98 g/mol, XLogP of 7.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-[(4-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 57329835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).