N-[5-[1-benzyl-3-(morpholine-4-carbonyl)pyrazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide

C26H25N5O3S — CID 46222035

IUPACN-[5-[1-benzyl-3-(morpholine-4-carbonyl)pyrazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide
SMILESCc1nc(NC(=O)c2ccccc2)sc1-c1cc(C(=O)N2CCOCC2)nn1Cc1ccccc1
InChIInChI=1S/C26H25N5O3S/c1-18-23(35-26(27-18)28-24(32)20-10-6-3-7-11-20)22-16-21(25(33)30-12-14-34-15-13-30)29-31(22)17-19-8-4-2-5-9-19/h2-11,16H,12-15,17H2,1H3,(H,27,28,32)
InChIKeyOFCAMQSCBZPTRB-UHFFFAOYSA-N
MW487.59 g/mol
LogP4.09
Rot. Bonds6

About N-[5-[1-benzyl-3-(morpholine-4-carbonyl)pyrazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide

N-[5-[1-benzyl-3-(morpholine-4-carbonyl)pyrazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide (PubChem CID 46222035) has the molecular formula C26H25N5O3S and a molecular weight of 487.59 g/mol. Its IUPAC name is N-[5-[1-benzyl-3-(morpholine-4-carbonyl)pyrazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-[1-benzyl-3-(morpholine-4-carbonyl)pyrazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide
PubChem CID46222035
Molecular FormulaC26H25N5O3S
Molecular Weight487.59 g/mol
Exact Mass487.17
IUPAC NameN-[5-[1-benzyl-3-(morpholine-4-carbonyl)pyrazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide
SMILESCc1nc(NC(=O)c2ccccc2)sc1-c1cc(C(=O)N2CCOCC2)nn1Cc1ccccc1
InChIInChI=1S/C26H25N5O3S/c1-18-23(35-26(27-18)28-24(32)20-10-6-3-7-11-20)22-16-21(25(33)30-12-14-34-15-13-30)29-31(22)17-19-8-4-2-5-9-19/h2-11,16H,12-15,17H2,1H3,(H,27,28,32)
InChIKeyOFCAMQSCBZPTRB-UHFFFAOYSA-N
XLogP4.09
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.59
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-[1-benzyl-3-(morpholine-4-carbonyl)pyrazol-5-yl]-4-methyl-1,3-thiazol-2-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-[5-[1-benzyl-3-(morpholine-4-carbonyl)pyrazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[5-[1-benzyl-3-(morpholine-4-carbonyl)pyrazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide (CID 46222035) is N-[5-[1-benzyl-3-(morpholine-4-carbonyl)pyrazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[5-[1-benzyl-3-(morpholine-4-carbonyl)pyrazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[5-[1-benzyl-3-(morpholine-4-carbonyl)pyrazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide is Cc1nc(NC(=O)c2ccccc2)sc1-c1cc(C(=O)N2CCOCC2)nn1Cc1ccccc1.
What is the InChIKey of N-[5-[1-benzyl-3-(morpholine-4-carbonyl)pyrazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide?
The InChIKey is OFCAMQSCBZPTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3S/c1-18-23(35-26(27-18)28-24(32)20-10-6-3-7-11-20)22-16-21(25(33)30-12-14-34-15-13-30)29-31(22)17-19-8-4-2-5-9-19/h2-11,16H,12-15,17H2,1H3,(H,27,28,32).
What are the key properties of N-[5-[1-benzyl-3-(morpholine-4-carbonyl)pyrazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide?
N-[5-[1-benzyl-3-(morpholine-4-carbonyl)pyrazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide has a molecular weight of 487.59 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-benzyl-3-(morpholine-4-carbonyl)pyrazol-5-yl]-4-methyl-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 46222035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).