4-(4-tert-butylphenyl)-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide

C27H32N2O2S — CID 11840384

IUPAC4-(4-tert-butylphenyl)-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide
SMILESCCCc1sc(NC(=O)CCC(=O)c2ccc(C(C)(C)C)cc2)nc1-c1ccc(C)cc1
InChIInChI=1S/C27H32N2O2S/c1-6-7-23-25(20-10-8-18(2)9-11-20)29-26(32-23)28-24(31)17-16-22(30)19-12-14-21(15-13-19)27(3,4)5/h8-15H,6-7,16-17H2,1-5H3,(H,28,29,31)
InChIKeyHXLBKBRXYAJLAN-UHFFFAOYSA-N
MW448.63 g/mol
LogP6.97
Rot. Bonds8

About 4-(4-tert-butylphenyl)-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide

4-(4-tert-butylphenyl)-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide (PubChem CID 11840384) has the molecular formula C27H32N2O2S and a molecular weight of 448.63 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide
PubChem CID11840384
Molecular FormulaC27H32N2O2S
Molecular Weight448.63 g/mol
Exact Mass448.22
IUPAC Name4-(4-tert-butylphenyl)-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide
SMILESCCCc1sc(NC(=O)CCC(=O)c2ccc(C(C)(C)C)cc2)nc1-c1ccc(C)cc1
InChIInChI=1S/C27H32N2O2S/c1-6-7-23-25(20-10-8-18(2)9-11-20)29-26(32-23)28-24(31)17-16-22(30)19-12-14-21(15-13-19)27(3,4)5/h8-15H,6-7,16-17H2,1-5H3,(H,28,29,31)
InChIKeyHXLBKBRXYAJLAN-UHFFFAOYSA-N
XLogP6.97
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.63
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethoxyphenyl)-N-[4-(4-ethoxyphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide
CID 126199401
4-methyl-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
CID 1338053
N-[4-(4-chlorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 126200117
N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxo-4-phenylbutanamide
CID 126204500
N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 126206369
4-tert-butyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
CID 4061770
N-[4-(2,5-dimethylphenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 126210588
N-[4-(3,4-dichlorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 126210889
3-(4-methylphenyl)sulfanyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]propanamide
CID 44994114
4-[[4-(4-tert-butylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
CID 6464387
4-tert-butyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 1185902
4-(4-bromophenyl)-N-[5-(4-methylphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide
CID 126204377

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide?
The IUPAC name of 4-(4-tert-butylphenyl)-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide (CID 11840384) is 4-(4-tert-butylphenyl)-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-tert-butylphenyl)-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide?
The canonical SMILES for 4-(4-tert-butylphenyl)-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide is CCCc1sc(NC(=O)CCC(=O)c2ccc(C(C)(C)C)cc2)nc1-c1ccc(C)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide?
The InChIKey is HXLBKBRXYAJLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O2S/c1-6-7-23-25(20-10-8-18(2)9-11-20)29-26(32-23)28-24(31)17-16-22(30)19-12-14-21(15-13-19)27(3,4)5/h8-15H,6-7,16-17H2,1-5H3,(H,28,29,31).
What are the key properties of 4-(4-tert-butylphenyl)-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide?
4-(4-tert-butylphenyl)-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide has a molecular weight of 448.63 g/mol, XLogP of 6.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide is sourced from PubChem (CID 11840384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).