2,6-ditert-butyl-4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenol

C24H30N2O2S — CID 139972664

IUPAC2,6-ditert-butyl-4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenol
SMILESCOc1ccc(Nc2nc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cs2)cc1
InChIInChI=1S/C24H30N2O2S/c1-23(2,3)18-12-15(13-19(21(18)27)24(4,5)6)20-14-29-22(26-20)25-16-8-10-17(28-7)11-9-16/h8-14,27H,1-7H3,(H,25,26)
InChIKeyCXRBKYAKWNKOHE-UHFFFAOYSA-N
MW410.58 g/mol
LogP6.86
Rot. Bonds4

About 2,6-ditert-butyl-4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenol

2,6-ditert-butyl-4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenol (PubChem CID 139972664) has the molecular formula C24H30N2O2S and a molecular weight of 410.58 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenol
PubChem CID139972664
Molecular FormulaC24H30N2O2S
Molecular Weight410.58 g/mol
Exact Mass410.20
IUPAC Name2,6-ditert-butyl-4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenol
SMILESCOc1ccc(Nc2nc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cs2)cc1
InChIInChI=1S/C24H30N2O2S/c1-23(2,3)18-12-15(13-19(21(18)27)24(4,5)6)20-14-29-22(26-20)25-16-8-10-17(28-7)11-9-16/h8-14,27H,1-7H3,(H,25,26)
InChIKeyCXRBKYAKWNKOHE-UHFFFAOYSA-N
XLogP6.86
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.58
LogP ≤ 56.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-ditert-butyl-4-[2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol bromide
CID 21179316
4-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2877323
4-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 4093037
3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol
CID 768029
N-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine
CID 17398323
2,6-ditert-butyl-4-(2-methyl-1,3-thiazol-4-yl)phenol
CID 2742347
4-[2-(4-methylanilino)-1,3-thiazol-4-yl]benzene-1,2-diol
CID 962878
4-(4-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)-1,3-thiazol-2-amine
CID 124927933
N-[[4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 9343440
4-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 8962541
N-[3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565354
N-(4-methoxyphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride
CID 126477222

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenol (CID 139972664) is 2,6-ditert-butyl-4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenol is COc1ccc(Nc2nc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cs2)cc1.
What is the InChIKey of 2,6-ditert-butyl-4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenol?
The InChIKey is CXRBKYAKWNKOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2S/c1-23(2,3)18-12-15(13-19(21(18)27)24(4,5)6)20-14-29-22(26-20)25-16-8-10-17(28-7)11-9-16/h8-14,27H,1-7H3,(H,25,26).
What are the key properties of 2,6-ditert-butyl-4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenol?
2,6-ditert-butyl-4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenol has a molecular weight of 410.58 g/mol, XLogP of 6.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenol is sourced from PubChem (CID 139972664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).