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

C12H21IN4S2 — CID 110032535

IUPACN'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCc1csc(C(C)C/N=C(\N)N2CCSCC2)n1.I
InChIInChI=1S/C12H20N4S2.HI/c1-9(11-15-10(2)8-18-11)7-14-12(13)16-3-5-17-6-4-16;/h8-9H,3-7H2,1-2H3,(H2,13,14);1H
InChIKeyFLEPWEBFLBLDBS-UHFFFAOYSA-N
MW412.37 g/mol
LogP2.54
Rot. Bonds3

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

N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide (PubChem CID 110032535) has the molecular formula C12H21IN4S2 and a molecular weight of 412.37 g/mol. Its IUPAC name is N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
PubChem CID110032535
Molecular FormulaC12H21IN4S2
Molecular Weight412.37 g/mol
Exact Mass412.03
IUPAC NameN'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
SMILESCc1csc(C(C)C/N=C(\N)N2CCSCC2)n1.I
InChIInChI=1S/C12H20N4S2.HI/c1-9(11-15-10(2)8-18-11)7-14-12(13)16-3-5-17-6-4-16;/h8-9H,3-7H2,1-2H3,(H2,13,14);1H
InChIKeyFLEPWEBFLBLDBS-UHFFFAOYSA-N
XLogP2.54
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.37
LogP ≤ 52.54
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 N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]thiomorpholine-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

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide (CID 110032535) is N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide is Cc1csc(C(C)C/N=C(\N)N2CCSCC2)n1.I.
What is the InChIKey of N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide?
The InChIKey is FLEPWEBFLBLDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S2.HI/c1-9(11-15-10(2)8-18-11)7-14-12(13)16-3-5-17-6-4-16;/h8-9H,3-7H2,1-2H3,(H2,13,14);1H.
What are the key properties of N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide?
N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide has a molecular weight of 412.37 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methyl-1,3-thiazol-2-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 110032535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).