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

C12H20N4OS — CID 120661740

IUPACN'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide
SMILESCc1nc(C/N=C(\N)N2CCOC(C)C2)sc1C
InChIInChI=1S/C12H20N4OS/c1-8-7-16(4-5-17-8)12(13)14-6-11-15-9(2)10(3)18-11/h8H,4-7H2,1-3H3,(H2,13,14)
InChIKeyXHKQFWNXVSHCIW-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.30
Rot. Bonds2

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

N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide (PubChem CID 120661740) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide
PubChem CID120661740
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC NameN'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide
SMILESCc1nc(C/N=C(\N)N2CCOC(C)C2)sc1C
InChIInChI=1S/C12H20N4OS/c1-8-7-16(4-5-17-8)12(13)14-6-11-15-9(2)10(3)18-11/h8H,4-7H2,1-3H3,(H2,13,14)
InChIKeyXHKQFWNXVSHCIW-UHFFFAOYSA-N
XLogP1.30
TPSA63.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.30
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'-[(4,5-dimethyl-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

Related Compounds

4-(4,5-Dimethyl-1,3-thiazol-2-yl)morpholine
CID 23076518
4,5-dimethyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine
CID 65169426
4,5-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine;ethane
CID 142273119
4-(4,5-Dimethyl-1,3-thiazol-2-yl)morpholine;ethane
CID 143922284
2-(2,6-dimethylmorpholin-4-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 45801889
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methylmorpholin-4-yl)acetamide
CID 45803005
[4-Methyl-2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanamine
CID 55117567
1-({[4-Methyl-2-(morpholin-4-yl)-1,3-thiazol-5-yl]methylidene}amino)guanidine
CID 60641960
N-methyl-1-[4-methyl-2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methanamine
CID 62765189
[4-Methyl-2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methanamine
CID 62765343
[2-(2,6-Dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 62766346
1-[2-(2,6-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62766516

Frequently Asked Questions

What is the IUPAC name of N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide?
The IUPAC name of N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide (CID 120661740) is N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide?
The canonical SMILES for N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide is Cc1nc(C/N=C(\N)N2CCOC(C)C2)sc1C.
What is the InChIKey of N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide?
The InChIKey is XHKQFWNXVSHCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-8-7-16(4-5-17-8)12(13)14-6-11-15-9(2)10(3)18-11/h8H,4-7H2,1-3H3,(H2,13,14).
What are the key properties of N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide?
N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide has a molecular weight of 268.39 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide is sourced from PubChem (CID 120661740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).