2-[(dimethylamino)methyl]-1,3-thiazole-5-carboximidamide

C7H12N4S — CID 82424599

IUPAC2-[(dimethylamino)methyl]-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1cnc(CN(C)C)s1
InChIInChI=1S/C7H12N4S/c1-11(2)4-6-10-3-5(12-6)7(8)9/h3H,4H2,1-2H3,(H3,8,9)
InChIKeyOXOIZCYPRAIGPO-UHFFFAOYSA-N
MW184.27 g/mol
LogP0.49
Rot. Bonds3

About 2-[(dimethylamino)methyl]-1,3-thiazole-5-carboximidamide

2-[(dimethylamino)methyl]-1,3-thiazole-5-carboximidamide (PubChem CID 82424599) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-1,3-thiazole-5-carboximidamide.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-1,3-thiazole-5-carboximidamide
PubChem CID82424599
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC Name2-[(dimethylamino)methyl]-1,3-thiazole-5-carboximidamide
SMILES[H]/N=C(\N)c1cnc(CN(C)C)s1
InChIInChI=1S/C7H12N4S/c1-11(2)4-6-10-3-5(12-6)7(8)9/h3H,4H2,1-2H3,(H3,8,9)
InChIKeyOXOIZCYPRAIGPO-UHFFFAOYSA-N
XLogP0.49
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-[(dimethylamino)methyl]-1,3-thiazole-5-carboximidamide?
The IUPAC name of 2-[(dimethylamino)methyl]-1,3-thiazole-5-carboximidamide (CID 82424599) is 2-[(dimethylamino)methyl]-1,3-thiazole-5-carboximidamide.
What is the SMILES notation for 2-[(dimethylamino)methyl]-1,3-thiazole-5-carboximidamide?
The canonical SMILES for 2-[(dimethylamino)methyl]-1,3-thiazole-5-carboximidamide is [H]/N=C(\N)c1cnc(CN(C)C)s1.
What is the InChIKey of 2-[(dimethylamino)methyl]-1,3-thiazole-5-carboximidamide?
The InChIKey is OXOIZCYPRAIGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S/c1-11(2)4-6-10-3-5(12-6)7(8)9/h3H,4H2,1-2H3,(H3,8,9).
What are the key properties of 2-[(dimethylamino)methyl]-1,3-thiazole-5-carboximidamide?
2-[(dimethylamino)methyl]-1,3-thiazole-5-carboximidamide has a molecular weight of 184.27 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-1,3-thiazole-5-carboximidamide is sourced from PubChem (CID 82424599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).