4-tert-butyl-N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]benzamide

C33H30N2OS — CID 126201256

IUPAC4-tert-butyl-N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]benzamide
SMILESCn1c(-c2ccc(-c3ccccc3)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C33H30N2OS/c1-33(2,3)28-21-19-27(20-22-28)31(36)34-32-35(4)29(30(37-32)26-13-9-6-10-14-26)25-17-15-24(16-18-25)23-11-7-5-8-12-23/h5-22H,1-4H3/b34-32-
InChIKeyOUIZEKLYMIVGJL-YJKCNMNRSA-N
MW502.68 g/mol
LogP8.13
Rot. Bonds4

About 4-tert-butyl-N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]benzamide

4-tert-butyl-N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]benzamide (PubChem CID 126201256) has the molecular formula C33H30N2OS and a molecular weight of 502.68 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]benzamide
PubChem CID126201256
Molecular FormulaC33H30N2OS
Molecular Weight502.68 g/mol
Exact Mass502.21
IUPAC Name4-tert-butyl-N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]benzamide
SMILESCn1c(-c2ccc(-c3ccccc3)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C33H30N2OS/c1-33(2,3)28-21-19-27(20-22-28)31(36)34-32-35(4)29(30(37-32)26-13-9-6-10-14-26)25-17-15-24(16-18-25)23-11-7-5-8-12-23/h5-22H,1-4H3/b34-32-
InChIKeyOUIZEKLYMIVGJL-YJKCNMNRSA-N
XLogP8.13
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.68
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]pyridine-3-carboxamide
CID 3448125
3-methyl-N-(3-methyl-4,5-diphenyl-1,3-thiazol-2-ylidene)benzamide
CID 126212032
N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-4-bromobenzamide
CID 126204701
N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-4-fluorobenzamide
CID 126203694
N-[3-(2-hydroxyethyl)-4,5-diphenyl-1,3-thiazol-2-ylidene]benzamide
CID 1008314
N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-phenylbenzamide
CID 4984113
2-chloro-N-[4-(4-methoxyphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzamide
CID 126198964
2-chloro-N-[4-(3,4-dimethylphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzamide
CID 126213122
4-tert-butyl-N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885349
N-(4-tert-butylphenyl)-4-phenylbenzamide
CID 7914209
N-(3,4-dimethyl-5-propan-2-yl-1,3-thiazol-2-ylidene)benzamide
CID 56972553
4-chloro-N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]benzenesulfonamide
CID 126211272

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]benzamide (CID 126201256) is 4-tert-butyl-N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]benzamide is Cn1c(-c2ccc(-c3ccccc3)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]benzamide?
The InChIKey is OUIZEKLYMIVGJL-YJKCNMNRSA-N. The full InChI is InChI=1S/C33H30N2OS/c1-33(2,3)28-21-19-27(20-22-28)31(36)34-32-35(4)29(30(37-32)26-13-9-6-10-14-26)25-17-15-24(16-18-25)23-11-7-5-8-12-23/h5-22H,1-4H3/b34-32-.
What are the key properties of 4-tert-butyl-N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]benzamide?
4-tert-butyl-N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]benzamide has a molecular weight of 502.68 g/mol, XLogP of 8.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]benzamide is sourced from PubChem (CID 126201256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).