4-methyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboximidamide

C10H16N4OS — CID 82427537

IUPAC4-methyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(CN2CCOCC2)nc1C
InChIInChI=1S/C10H16N4OS/c1-7-9(10(11)12)16-8(13-7)6-14-2-4-15-5-3-14/h2-6H2,1H3,(H3,11,12)
InChIKeyNOJZIRIKQQDWTB-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.57
Rot. Bonds3

About 4-methyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboximidamide

4-methyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboximidamide (PubChem CID 82427537) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 4-methyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboximidamide.

Molecular Properties

Compound Name4-methyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboximidamide
PubChem CID82427537
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name4-methyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1sc(CN2CCOCC2)nc1C
InChIInChI=1S/C10H16N4OS/c1-7-9(10(11)12)16-8(13-7)6-14-2-4-15-5-3-14/h2-6H2,1H3,(H3,11,12)
InChIKeyNOJZIRIKQQDWTB-UHFFFAOYSA-N
XLogP0.57
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 ≤ 50.57
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboximidamide?
The IUPAC name of 4-methyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboximidamide (CID 82427537) is 4-methyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboximidamide.
What is the SMILES notation for 4-methyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboximidamide?
The canonical SMILES for 4-methyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboximidamide is [H]/N=C(\N)c1sc(CN2CCOCC2)nc1C.
What is the InChIKey of 4-methyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboximidamide?
The InChIKey is NOJZIRIKQQDWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-7-9(10(11)12)16-8(13-7)6-14-2-4-15-5-3-14/h2-6H2,1H3,(H3,11,12).
What are the key properties of 4-methyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboximidamide?
4-methyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboximidamide has a molecular weight of 240.33 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carboximidamide is sourced from PubChem (CID 82427537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).