4-tert-butyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide

C29H30N2OS — CID 4061770

IUPAC4-tert-butyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
SMILESCCCc1sc(NC(=O)c2ccc(C(C)(C)C)cc2)nc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H30N2OS/c1-5-9-25-26(22-14-12-21(13-15-22)20-10-7-6-8-11-20)30-28(33-25)31-27(32)23-16-18-24(19-17-23)29(2,3)4/h6-8,10-19H,5,9H2,1-4H3,(H,30,31,32)
InChIKeyVGOXNGJJBXUXRM-UHFFFAOYSA-N
MW454.64 g/mol
LogP7.98
Rot. Bonds6

About 4-tert-butyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide

4-tert-butyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide (PubChem CID 4061770) has the molecular formula C29H30N2OS and a molecular weight of 454.64 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
PubChem CID4061770
Molecular FormulaC29H30N2OS
Molecular Weight454.64 g/mol
Exact Mass454.21
IUPAC Name4-tert-butyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
SMILESCCCc1sc(NC(=O)c2ccc(C(C)(C)C)cc2)nc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H30N2OS/c1-5-9-25-26(22-14-12-21(13-15-22)20-10-7-6-8-11-20)30-28(33-25)31-27(32)23-16-18-24(19-17-23)29(2,3)4/h6-8,10-19H,5,9H2,1-4H3,(H,30,31,32)
InChIKeyVGOXNGJJBXUXRM-UHFFFAOYSA-N
XLogP7.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.64
LogP ≤ 57.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
CID 1338053
4-(dipropylsulfamoyl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
CID 3346909
4-(4-tert-butylphenyl)-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide
CID 11840384
4-morpholin-4-ylsulfonyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
CID 4181565
ethyl 2-[(4-tert-butylbenzoyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 1311883
2-nitro-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
CID 4285896
2,4-dichloro-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
CID 5013046
5-(1,3-benzothiazol-2-yl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 3346874
2-phenoxy-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]acetamide
CID 3568889
N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-4-propoxybenzamide
CID 4284156
N-[4-(4-bromophenyl)-5-propyl-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 1282398
N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 1136032

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide (CID 4061770) is 4-tert-butyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide is CCCc1sc(NC(=O)c2ccc(C(C)(C)C)cc2)nc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide?
The InChIKey is VGOXNGJJBXUXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2OS/c1-5-9-25-26(22-14-12-21(13-15-22)20-10-7-6-8-11-20)30-28(33-25)31-27(32)23-16-18-24(19-17-23)29(2,3)4/h6-8,10-19H,5,9H2,1-4H3,(H,30,31,32).
What are the key properties of 4-tert-butyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide?
4-tert-butyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide has a molecular weight of 454.64 g/mol, XLogP of 7.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 4061770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).