2-methyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide;hydroiodide

C13H23IN4OS — CID 120662075

IUPAC2-methyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide;hydroiodide
SMILESCc1csc(C(C)C/N=C(\N)N2CCOC(C)C2)n1.I
InChIInChI=1S/C13H22N4OS.HI/c1-9(12-16-10(2)8-19-12)6-15-13(14)17-4-5-18-11(3)7-17;/h8-9,11H,4-7H2,1-3H3,(H2,14,15);1H
InChIKeyQNAVAQQLTLJDCM-UHFFFAOYSA-N
MW410.33 g/mol
LogP2.21
Rot. Bonds3

About 2-methyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide;hydroiodide

2-methyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 120662075) has the molecular formula C13H23IN4OS and a molecular weight of 410.33 g/mol. Its IUPAC name is 2-methyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound Name2-methyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID120662075
Molecular FormulaC13H23IN4OS
Molecular Weight410.33 g/mol
Exact Mass410.06
IUPAC Name2-methyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide;hydroiodide
SMILESCc1csc(C(C)C/N=C(\N)N2CCOC(C)C2)n1.I
InChIInChI=1S/C13H22N4OS.HI/c1-9(12-16-10(2)8-19-12)6-15-13(14)17-4-5-18-11(3)7-17;/h8-9,11H,4-7H2,1-3H3,(H2,14,15);1H
InChIKeyQNAVAQQLTLJDCM-UHFFFAOYSA-N
XLogP2.21
TPSA63.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.33
LogP ≤ 52.21
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-methyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide;hydroiodide with MolForge

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

Launch Full Analysis

Related Compounds

(2S,6R)-2,6-dimethyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide
CID 136589466
1-[2-(Cyclopropylmethoxy)ethyl]-1,2-dimethyl-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine;hydroiodide
CID 109652188
1-Ethyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide
CID 111615089
1-Ethyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 111615090
1-[3-(2,6-Dimethylmorpholin-4-yl)propyl]-2-methyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide
CID 111615923
1-[3-(2,6-Dimethylmorpholin-4-yl)propyl]-2-methyl-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 111615924
1-[3-(2,6-Dimethylmorpholin-4-yl)propyl]-3-ethyl-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide
CID 111615925
1-[3-(2,6-Dimethylmorpholin-4-yl)propyl]-3-ethyl-2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 111615926
2-Methyl-1-[(4-methylmorpholin-2-yl)methyl]-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide
CID 111616173
2-Methyl-1-[(4-methylmorpholin-2-yl)methyl]-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 111616174
2-Methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine;hydroiodide
CID 111616315
2-Methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]guanidine
CID 111616316

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of 2-methyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide;hydroiodide (CID 120662075) is 2-methyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for 2-methyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for 2-methyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide;hydroiodide is Cc1csc(C(C)C/N=C(\N)N2CCOC(C)C2)n1.I.
What is the InChIKey of 2-methyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is QNAVAQQLTLJDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS.HI/c1-9(12-16-10(2)8-19-12)6-15-13(14)17-4-5-18-11(3)7-17;/h8-9,11H,4-7H2,1-3H3,(H2,14,15);1H.
What are the key properties of 2-methyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide;hydroiodide?
2-methyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 410.33 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 120662075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).