H3B-120

C19H24N4O2S — CID 132355378

IUPAC1-N-benzyl-1-N-methyl-4-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
SMILESCC1=CSC(=N1)NC(=O)C2CCN(CC2)C(=O)N(C)CC3=CC=CC=C3
InChIInChI=1S/C19H24N4O2S/c1-14-13-26-18(20-14)21-17(24)16-8-10-23(11-9-16)19(25)22(2)12-15-6-4-3-5-7-15/h3-7,13,16H,8-12H2,1-2H3,(H,20,21,24)
InChIKeyZEVOZXRSCSSPAO-UHFFFAOYSA-N
MW372.50 g/mol
LogP2.30
Rot. Bonds4

About H3B-120

H3B-120 (PubChem CID 132355378) has the molecular formula C19H24N4O2S and a molecular weight of 372.50 g/mol. Its IUPAC name is 1-N-benzyl-1-N-methyl-4-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound NameH3B-120
PubChem CID132355378
Molecular FormulaC19H24N4O2S
Molecular Weight372.50 g/mol
Exact Mass372.16
IUPAC Name1-N-benzyl-1-N-methyl-4-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
SMILESCC1=CSC(=N1)NC(=O)C2CCN(CC2)C(=O)N(C)CC3=CC=CC=C3
InChIInChI=1S/C19H24N4O2S/c1-14-13-26-18(20-14)21-17(24)16-8-10-23(11-9-16)19(25)22(2)12-15-6-4-3-5-7-15/h3-7,13,16H,8-12H2,1-2H3,(H,20,21,24)
InChIKeyZEVOZXRSCSSPAO-UHFFFAOYSA-N
XLogP2.30
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity490

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze H3B-120 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 H3B-120?
The IUPAC name of H3B-120 (CID 132355378) is 1-N-benzyl-1-N-methyl-4-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for H3B-120?
The canonical SMILES for H3B-120 is CC1=CSC(=N1)NC(=O)C2CCN(CC2)C(=O)N(C)CC3=CC=CC=C3.
What is the InChIKey of H3B-120?
The InChIKey is ZEVOZXRSCSSPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-14-13-26-18(20-14)21-17(24)16-8-10-23(11-9-16)19(25)22(2)12-15-6-4-3-5-7-15/h3-7,13,16H,8-12H2,1-2H3,(H,20,21,24).
What are the key properties of H3B-120?
H3B-120 has a molecular weight of 372.50 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for H3B-120 is sourced from PubChem (CID 132355378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).