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

C23H28N2O2S — CID 141252487

IUPAC4-tert-butyl-5-[(3,4-dimethoxyphenyl)methyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(Cc2sc(Nc3ccc(C)cc3)nc2C(C)(C)C)cc1OC
InChIInChI=1S/C23H28N2O2S/c1-15-7-10-17(11-8-15)24-22-25-21(23(2,3)4)20(28-22)14-16-9-12-18(26-5)19(13-16)27-6/h7-13H,14H2,1-6H3,(H,24,25)
InChIKeyPKHTZMWMHAOAMU-UHFFFAOYSA-N
MW396.56 g/mol
LogP6.10
Rot. Bonds6

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

4-tert-butyl-5-[(3,4-dimethoxyphenyl)methyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 141252487) has the molecular formula C23H28N2O2S and a molecular weight of 396.56 g/mol. Its IUPAC name is 4-tert-butyl-5-[(3,4-dimethoxyphenyl)methyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-tert-butyl-5-[(3,4-dimethoxyphenyl)methyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
PubChem CID141252487
Molecular FormulaC23H28N2O2S
Molecular Weight396.56 g/mol
Exact Mass396.19
IUPAC Name4-tert-butyl-5-[(3,4-dimethoxyphenyl)methyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(Cc2sc(Nc3ccc(C)cc3)nc2C(C)(C)C)cc1OC
InChIInChI=1S/C23H28N2O2S/c1-15-7-10-17(11-8-15)24-22-25-21(23(2,3)4)20(28-22)14-16-9-12-18(26-5)19(13-16)27-6/h7-13H,14H2,1-6H3,(H,24,25)
InChIKeyPKHTZMWMHAOAMU-UHFFFAOYSA-N
XLogP6.10
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.56
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-5-[(4-chlorophenyl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 141234585
4-tert-butyl-5-[(4-methoxy-3-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 62064846
2-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112922789
N-(3,4-dimethoxyphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79128816
[4-tert-butyl-2-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanol
CID 82439229
2-[4-(2,5-dimethoxyphenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetate
CID 7460125
4-N-(4-tert-butylphenyl)-2-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112897317
4-(3,3-dimethylhexyl)-1,2-dimethoxybenzene
CID 134479395
4-N-(4-tert-butylphenyl)-6-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112862603
2-[(3,4-dimethoxyphenyl)methyl]-4-(4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 31264291
5-tert-butyl-2-[[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-5-yl]sulfanylmethyl]-1,3-oxazole
CID 59913255
4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859178

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-[(3,4-dimethoxyphenyl)methyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-tert-butyl-5-[(3,4-dimethoxyphenyl)methyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine (CID 141252487) is 4-tert-butyl-5-[(3,4-dimethoxyphenyl)methyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-tert-butyl-5-[(3,4-dimethoxyphenyl)methyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-tert-butyl-5-[(3,4-dimethoxyphenyl)methyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine is COc1ccc(Cc2sc(Nc3ccc(C)cc3)nc2C(C)(C)C)cc1OC.
What is the InChIKey of 4-tert-butyl-5-[(3,4-dimethoxyphenyl)methyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is PKHTZMWMHAOAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2S/c1-15-7-10-17(11-8-15)24-22-25-21(23(2,3)4)20(28-22)14-16-9-12-18(26-5)19(13-16)27-6/h7-13H,14H2,1-6H3,(H,24,25).
What are the key properties of 4-tert-butyl-5-[(3,4-dimethoxyphenyl)methyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine?
4-tert-butyl-5-[(3,4-dimethoxyphenyl)methyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 396.56 g/mol, XLogP of 6.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-[(3,4-dimethoxyphenyl)methyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 141252487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).