N'-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methylmorpholine-4-carboximidamide

C17H21ClN4OS — CID 120661286

IUPACN'-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methylmorpholine-4-carboximidamide
SMILESCc1sc(C/N=C(\N)N2CCOC(C)C2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN4OS/c1-11-10-22(7-8-23-11)17(19)20-9-15-21-16(12(2)24-15)13-3-5-14(18)6-4-13/h3-6,11H,7-10H2,1-2H3,(H2,19,20)
InChIKeyINMOPLAZQAOLDL-UHFFFAOYSA-N
MW364.90 g/mol
LogP3.31
Rot. Bonds3

About N'-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methylmorpholine-4-carboximidamide

N'-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methylmorpholine-4-carboximidamide (PubChem CID 120661286) has the molecular formula C17H21ClN4OS and a molecular weight of 364.90 g/mol. Its IUPAC name is N'-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methylmorpholine-4-carboximidamide
PubChem CID120661286
Molecular FormulaC17H21ClN4OS
Molecular Weight364.90 g/mol
Exact Mass364.11
IUPAC NameN'-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methylmorpholine-4-carboximidamide
SMILESCc1sc(C/N=C(\N)N2CCOC(C)C2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN4OS/c1-11-10-22(7-8-23-11)17(19)20-9-15-21-16(12(2)24-15)13-3-5-14(18)6-4-13/h3-6,11H,7-10H2,1-2H3,(H2,19,20)
InChIKeyINMOPLAZQAOLDL-UHFFFAOYSA-N
XLogP3.31
TPSA63.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methylmorpholine-4-carboximidamide 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'-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methylmorpholine-4-carboximidamide?
The IUPAC name of N'-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methylmorpholine-4-carboximidamide (CID 120661286) is N'-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methylmorpholine-4-carboximidamide?
The canonical SMILES for N'-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methylmorpholine-4-carboximidamide is Cc1sc(C/N=C(\N)N2CCOC(C)C2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of N'-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methylmorpholine-4-carboximidamide?
The InChIKey is INMOPLAZQAOLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4OS/c1-11-10-22(7-8-23-11)17(19)20-9-15-21-16(12(2)24-15)13-3-5-14(18)6-4-13/h3-6,11H,7-10H2,1-2H3,(H2,19,20).
What are the key properties of N'-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methylmorpholine-4-carboximidamide?
N'-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methylmorpholine-4-carboximidamide has a molecular weight of 364.90 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methylmorpholine-4-carboximidamide is sourced from PubChem (CID 120661286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).