4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-propylbenzamide

C23H26N2OS — CID 22433301

IUPAC4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C23H26N2OS/c1-5-15-25(21(26)18-11-13-19(14-12-18)23(2,3)4)22-24-20(16-27-22)17-9-7-6-8-10-17/h6-14,16H,5,15H2,1-4H3
InChIKeyWTYBLRYFSDQPRS-UHFFFAOYSA-N
MW378.54 g/mol
LogP6.16
Rot. Bonds5

About 4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-propylbenzamide

4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-propylbenzamide (PubChem CID 22433301) has the molecular formula C23H26N2OS and a molecular weight of 378.54 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-propylbenzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-propylbenzamide
PubChem CID22433301
Molecular FormulaC23H26N2OS
Molecular Weight378.54 g/mol
Exact Mass378.18
IUPAC Name4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C23H26N2OS/c1-5-15-25(21(26)18-11-13-19(14-12-18)23(2,3)4)22-24-20(16-27-22)17-9-7-6-8-10-17/h6-14,16H,5,15H2,1-4H3
InChIKeyWTYBLRYFSDQPRS-UHFFFAOYSA-N
XLogP6.16
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.54
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 3173513
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-tert-butyl-N-propylbenzamide
CID 22433145
4-tert-butyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 7124782
N-ethyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 861592
4-(2-acetamidoethyl)-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 43034291
4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 2675971
N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 2675968
4-tert-butyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)benzamide
CID 1176073
1-N,3-N-bis(3-aminopropyl)-1-N,3-N-bis(4-phenyl-1,3-thiazol-2-yl)benzene-1,3-dicarboxamide
CID 66727925
3-(3-acetylphenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-1-propylurea
CID 22433456
N-benzyl-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 1172662
N-ethyl-3-fluoro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1175847

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-propylbenzamide?
The IUPAC name of 4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-propylbenzamide (CID 22433301) is 4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-propylbenzamide.
What is the SMILES notation for 4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-propylbenzamide?
The canonical SMILES for 4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-propylbenzamide is CCCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of 4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-propylbenzamide?
The InChIKey is WTYBLRYFSDQPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2OS/c1-5-15-25(21(26)18-11-13-19(14-12-18)23(2,3)4)22-24-20(16-27-22)17-9-7-6-8-10-17/h6-14,16H,5,15H2,1-4H3.
What are the key properties of 4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-propylbenzamide?
4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-propylbenzamide has a molecular weight of 378.54 g/mol, XLogP of 6.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-propylbenzamide is sourced from PubChem (CID 22433301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).