3,5-ditert-butyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide

C25H30N2O2S — CID 73332160

IUPAC3,5-ditert-butyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)n2)cc1
InChIInChI=1S/C25H30N2O2S/c1-24(2,3)18-12-17(13-19(14-18)25(4,5)6)22(28)27-23-26-21(15-30-23)16-8-10-20(29-7)11-9-16/h8-15H,1-7H3,(H,26,27,28)
InChIKeyUMJUVKKRAXXMQT-UHFFFAOYSA-N
MW422.59 g/mol
LogP6.67
Rot. Bonds4

About 3,5-ditert-butyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide

3,5-ditert-butyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 73332160) has the molecular formula C25H30N2O2S and a molecular weight of 422.59 g/mol. Its IUPAC name is 3,5-ditert-butyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3,5-ditert-butyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID73332160
Molecular FormulaC25H30N2O2S
Molecular Weight422.59 g/mol
Exact Mass422.20
IUPAC Name3,5-ditert-butyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)n2)cc1
InChIInChI=1S/C25H30N2O2S/c1-24(2,3)18-12-17(13-19(14-18)25(4,5)6)22(28)27-23-26-21(15-30-23)16-8-10-20(29-7)11-9-16/h8-15H,1-7H3,(H,26,27,28)
InChIKeyUMJUVKKRAXXMQT-UHFFFAOYSA-N
XLogP6.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.59
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

T16AInh-A01
CID 135460621
3-methoxy-N-(4-methylthiazol-2-yl)benzamide
CID 2679292
4-Methoxy-N-(4-phenyl-2-thiazolyl)benzamide
CID 668712
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 2168034
A1AR antagonist 3
CID 129834603
N-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 862702
1-(4-(4-Methoxyphenyl)thiazol-2-yl)-3-phenylurea
CID 930415
2,6-Dimethoxy-N-(4-phenyl-thiazol-2-yl)-benzamide
CID 954627
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 2090691
N-(4-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide
CID 4879505
3-bromo-N-{[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl}-4-methoxybenzamide
CID 1400270
N-(4-(4-methoxyphenyl)thiazol-2-yl)-4-oxo-4H-chromene-2-carboxamide
CID 3397982

Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3,5-ditert-butyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide (CID 73332160) is 3,5-ditert-butyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3,5-ditert-butyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3,5-ditert-butyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide is COc1ccc(-c2csc(NC(=O)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)n2)cc1.
What is the InChIKey of 3,5-ditert-butyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is UMJUVKKRAXXMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2S/c1-24(2,3)18-12-17(13-19(14-18)25(4,5)6)22(28)27-23-26-21(15-30-23)16-8-10-20(29-7)11-9-16/h8-15H,1-7H3,(H,26,27,28).
What are the key properties of 3,5-ditert-butyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
3,5-ditert-butyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 422.59 g/mol, XLogP of 6.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 73332160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).