N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-tert-butyl-N-propylbenzamide

C23H25BrN2OS — CID 22433145

IUPACN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-tert-butyl-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C23H25BrN2OS/c1-5-14-26(21(27)17-6-10-18(11-7-17)23(2,3)4)22-25-20(15-28-22)16-8-12-19(24)13-9-16/h6-13,15H,5,14H2,1-4H3
InChIKeyXZQQWWLDPOTOFM-UHFFFAOYSA-N
MW457.44 g/mol
LogP6.93
Rot. Bonds5

About N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-tert-butyl-N-propylbenzamide

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-tert-butyl-N-propylbenzamide (PubChem CID 22433145) has the molecular formula C23H25BrN2OS and a molecular weight of 457.44 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-tert-butyl-N-propylbenzamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-tert-butyl-N-propylbenzamide
PubChem CID22433145
Molecular FormulaC23H25BrN2OS
Molecular Weight457.44 g/mol
Exact Mass456.09
IUPAC NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-tert-butyl-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C23H25BrN2OS/c1-5-14-26(21(27)17-6-10-18(11-7-17)23(2,3)4)22-25-20(15-28-22)16-8-12-19(24)13-9-16/h6-13,15H,5,14H2,1-4H3
InChIKeyXZQQWWLDPOTOFM-UHFFFAOYSA-N
XLogP6.93
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.44
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-tert-butyl-N-propylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-propylbenzamide
CID 22433301
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxy-N-propylbenzamide
CID 22433180
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]-N-propylfuran-2-carboxamide
CID 22433175
4-tert-butyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)benzamide
CID 1176073
N-[3-(diethylamino)propyl]-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3170750
4-bromo-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 3189591
4-tert-butyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 7124782
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-ethyl-2-methoxybenzamide
CID 22433390
N-ethyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 861592
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(dipropylsulfamoyl)benzamide
CID 3271208
N-benzyl-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 1172662

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-tert-butyl-N-propylbenzamide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-tert-butyl-N-propylbenzamide (CID 22433145) is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-tert-butyl-N-propylbenzamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-tert-butyl-N-propylbenzamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-tert-butyl-N-propylbenzamide is CCCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-tert-butyl-N-propylbenzamide?
The InChIKey is XZQQWWLDPOTOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN2OS/c1-5-14-26(21(27)17-6-10-18(11-7-17)23(2,3)4)22-25-20(15-28-22)16-8-12-19(24)13-9-16/h6-13,15H,5,14H2,1-4H3.
What are the key properties of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-tert-butyl-N-propylbenzamide?
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-tert-butyl-N-propylbenzamide has a molecular weight of 457.44 g/mol, XLogP of 6.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-tert-butyl-N-propylbenzamide is sourced from PubChem (CID 22433145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).