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

C22H26N2O2S — CID 57329751

IUPAC4-tert-butyl-N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(Cc2sc(Nc3ccc(OC)cc3)nc2C(C)(C)C)cc1
InChIInChI=1S/C22H26N2O2S/c1-22(2,3)20-19(14-15-6-10-17(25-4)11-7-15)27-21(24-20)23-16-8-12-18(26-5)13-9-16/h6-13H,14H2,1-5H3,(H,23,24)
InChIKeyHBVICUKRVCZGCB-UHFFFAOYSA-N
MW382.53 g/mol
LogP5.79
Rot. Bonds6

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

4-tert-butyl-N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 57329751) has the molecular formula C22H26N2O2S and a molecular weight of 382.53 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
PubChem CID57329751
Molecular FormulaC22H26N2O2S
Molecular Weight382.53 g/mol
Exact Mass382.17
IUPAC Name4-tert-butyl-N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(Cc2sc(Nc3ccc(OC)cc3)nc2C(C)(C)C)cc1
InChIInChI=1S/C22H26N2O2S/c1-22(2,3)20-19(14-15-6-10-17(25-4)11-7-15)27-21(24-20)23-16-8-12-18(26-5)13-9-16/h6-13H,14H2,1-5H3,(H,23,24)
InChIKeyHBVICUKRVCZGCB-UHFFFAOYSA-N
XLogP5.79
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.53
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-5-[(3,4-dimethoxyphenyl)methyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 141252487
4-tert-butyl-N-(3-chloro-4-fluorophenyl)-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine
CID 57329668
5-[(4-bromophenyl)methyl]-2-N-(4-methoxyphenyl)-4-N,4-N-dimethyl-1,3-thiazole-2,4-diamine
CID 134501473
4-tert-butyl-5-[(4-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-1,3-thiazol-2-amine
CID 57329835
4-benzyl-N-(4-methoxyphenyl)aniline
CID 175329182
4-tert-butyl-5-[(4-chlorophenyl)methyl]-N-[[4-(dimethylamino)phenyl]methyl]-1,3-thiazol-2-amine
CID 141234580
N-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 677721
3-N-(4-methoxyphenyl)-6-N-[(4-methoxyphenyl)methyl]pyridazine-3,6-diamine
CID 101161568
[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]methanol
CID 58260849
4-[[6-(4-methoxyanilino)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]phenol
CID 59339164
5-(1,3-benzodioxol-5-ylmethyl)-4-tert-butyl-N-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 141391302
N-[4-tert-butyl-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-chlorobenzamide
CID 71617406

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-tert-butyl-N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine (CID 57329751) is 4-tert-butyl-N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-tert-butyl-N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-tert-butyl-N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine is COc1ccc(Cc2sc(Nc3ccc(OC)cc3)nc2C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is HBVICUKRVCZGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2S/c1-22(2,3)20-19(14-15-6-10-17(25-4)11-7-15)27-21(24-20)23-16-8-12-18(26-5)13-9-16/h6-13H,14H2,1-5H3,(H,23,24).
What are the key properties of 4-tert-butyl-N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine?
4-tert-butyl-N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 382.53 g/mol, XLogP of 5.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 57329751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).