4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboximidamide

C10H16N4OS — CID 79681005

IUPAC4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(Cc2csc(C)n2)CCO1
InChIInChI=1S/C10H16N4OS/c1-7-13-8(6-16-7)4-14-2-3-15-9(5-14)10(11)12/h6,9H,2-5H2,1H3,(H3,11,12)
InChIKeyCYZIIXJEMLEXMM-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.59
Rot. Bonds3

About 4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboximidamide

4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboximidamide (PubChem CID 79681005) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboximidamide.

Molecular Properties

Compound Name4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboximidamide
PubChem CID79681005
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(Cc2csc(C)n2)CCO1
InChIInChI=1S/C10H16N4OS/c1-7-13-8(6-16-7)4-14-2-3-15-9(5-14)10(11)12/h6,9H,2-5H2,1H3,(H3,11,12)
InChIKeyCYZIIXJEMLEXMM-UHFFFAOYSA-N
XLogP0.59
TPSA75.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-Propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine
CID 51086508
1-(4-methylmorpholin-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 53551612
1-(4-cyclopropylmorpholin-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 53584391
N-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 53607183
1-{[2-(1-Ethoxyethyl)-1,3-thiazol-4-yl]methyl}piperazine
CID 54595740
1-{[2-(1-Methoxyethyl)-1,3-thiazol-4-yl]methyl}-1,4-diazepane
CID 71755634
1-{[2-(1-Methoxyethyl)-1,3-thiazol-4-yl]methyl}piperazine
CID 71755635
1-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-propan-2-ylpiperidin-4-amine
CID 72008385
4-[[4-(2,2-Difluoroethyl)piperazin-1-yl]methyl]-2-(1-ethoxyethyl)-1,3-thiazole
CID 72008387
1-(4-ethylmorpholin-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 72043649
4-((2,6-Dimethylmorpholin-4-yl)methyl)-1,3-thiazol-2-amine
CID 16227646
{[2-(1-Ethoxyethyl)-1,3-thiazol-4-yl]methyl}(methyl)amine
CID 54595767

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboximidamide?
The IUPAC name of 4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboximidamide (CID 79681005) is 4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboximidamide.
What is the SMILES notation for 4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboximidamide?
The canonical SMILES for 4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboximidamide is [H]/N=C(\N)C1CN(Cc2csc(C)n2)CCO1.
What is the InChIKey of 4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboximidamide?
The InChIKey is CYZIIXJEMLEXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-7-13-8(6-16-7)4-14-2-3-15-9(5-14)10(11)12/h6,9H,2-5H2,1H3,(H3,11,12).
What are the key properties of 4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboximidamide?
4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboximidamide has a molecular weight of 240.33 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboximidamide is sourced from PubChem (CID 79681005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).