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

C17H21N3O2S — CID 110421315

IUPACN-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide
SMILESCc1nc(CNC(=O)N2CCOCC2)sc1Cc1ccccc1
InChIInChI=1S/C17H21N3O2S/c1-13-15(11-14-5-3-2-4-6-14)23-16(19-13)12-18-17(21)20-7-9-22-10-8-20/h2-6H,7-12H2,1H3,(H,18,21)
InChIKeyQKTLVUCPYVXWDM-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.58
Rot. Bonds4

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

N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide (PubChem CID 110421315) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide
PubChem CID110421315
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide
SMILESCc1nc(CNC(=O)N2CCOCC2)sc1Cc1ccccc1
InChIInChI=1S/C17H21N3O2S/c1-13-15(11-14-5-3-2-4-6-14)23-16(19-13)12-18-17(21)20-7-9-22-10-8-20/h2-6H,7-12H2,1H3,(H,18,21)
InChIKeyQKTLVUCPYVXWDM-UHFFFAOYSA-N
XLogP2.58
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide 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-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide?
The IUPAC name of N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide (CID 110421315) is N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide is Cc1nc(CNC(=O)N2CCOCC2)sc1Cc1ccccc1.
What is the InChIKey of N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide?
The InChIKey is QKTLVUCPYVXWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-13-15(11-14-5-3-2-4-6-14)23-16(19-13)12-18-17(21)20-7-9-22-10-8-20/h2-6H,7-12H2,1H3,(H,18,21).
What are the key properties of N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide?
N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 110421315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).