N-[(2R)-1-(4-acetylpiperazin-1-yl)propan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-5-yl)benzamide

C26H30N4O2S — CID 59432563

IUPACN-[(2R)-1-(4-acetylpiperazin-1-yl)propan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-5-yl)benzamide
SMILESCC(=O)N1CCN(C[C@@H](C)NC(=O)c2cc(-c3ccc(C)cc3)cc(-c3cncs3)c2)CC1
InChIInChI=1S/C26H30N4O2S/c1-18-4-6-21(7-5-18)22-12-23(25-15-27-17-33-25)14-24(13-22)26(32)28-19(2)16-29-8-10-30(11-9-29)20(3)31/h4-7,12-15,17,19H,8-11,16H2,1-3H3,(H,28,32)/t19-/m1/s1
InChIKeyCAYMKCAHMCELQD-LJQANCHMSA-N
MW462.62 g/mol
LogP4.07
Rot. Bonds6

About N-[(2R)-1-(4-acetylpiperazin-1-yl)propan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-5-yl)benzamide

N-[(2R)-1-(4-acetylpiperazin-1-yl)propan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-5-yl)benzamide (PubChem CID 59432563) has the molecular formula C26H30N4O2S and a molecular weight of 462.62 g/mol. Its IUPAC name is N-[(2R)-1-(4-acetylpiperazin-1-yl)propan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[(2R)-1-(4-acetylpiperazin-1-yl)propan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-5-yl)benzamide
PubChem CID59432563
Molecular FormulaC26H30N4O2S
Molecular Weight462.62 g/mol
Exact Mass462.21
IUPAC NameN-[(2R)-1-(4-acetylpiperazin-1-yl)propan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-5-yl)benzamide
SMILESCC(=O)N1CCN(C[C@@H](C)NC(=O)c2cc(-c3ccc(C)cc3)cc(-c3cncs3)c2)CC1
InChIInChI=1S/C26H30N4O2S/c1-18-4-6-21(7-5-18)22-12-23(25-15-27-17-33-25)14-24(13-22)26(32)28-19(2)16-29-8-10-30(11-9-29)20(3)31/h4-7,12-15,17,19H,8-11,16H2,1-3H3,(H,28,32)/t19-/m1/s1
InChIKeyCAYMKCAHMCELQD-LJQANCHMSA-N
XLogP4.07
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.62
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-1-(4-acetylpiperazin-1-yl)propan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-5-yl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(4-acetylpiperazin-1-yl)propan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-5-yl)benzamide?
The IUPAC name of N-[(2R)-1-(4-acetylpiperazin-1-yl)propan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-5-yl)benzamide (CID 59432563) is N-[(2R)-1-(4-acetylpiperazin-1-yl)propan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-5-yl)benzamide.
What is the SMILES notation for N-[(2R)-1-(4-acetylpiperazin-1-yl)propan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-5-yl)benzamide?
The canonical SMILES for N-[(2R)-1-(4-acetylpiperazin-1-yl)propan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-5-yl)benzamide is CC(=O)N1CCN(C[C@@H](C)NC(=O)c2cc(-c3ccc(C)cc3)cc(-c3cncs3)c2)CC1.
What is the InChIKey of N-[(2R)-1-(4-acetylpiperazin-1-yl)propan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-5-yl)benzamide?
The InChIKey is CAYMKCAHMCELQD-LJQANCHMSA-N. The full InChI is InChI=1S/C26H30N4O2S/c1-18-4-6-21(7-5-18)22-12-23(25-15-27-17-33-25)14-24(13-22)26(32)28-19(2)16-29-8-10-30(11-9-29)20(3)31/h4-7,12-15,17,19H,8-11,16H2,1-3H3,(H,28,32)/t19-/m1/s1.
What are the key properties of N-[(2R)-1-(4-acetylpiperazin-1-yl)propan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-5-yl)benzamide?
N-[(2R)-1-(4-acetylpiperazin-1-yl)propan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-5-yl)benzamide has a molecular weight of 462.62 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(4-acetylpiperazin-1-yl)propan-2-yl]-3-(4-methylphenyl)-5-(1,3-thiazol-5-yl)benzamide is sourced from PubChem (CID 59432563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).