2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazole-5-carbaldehyde

C10H12N4OS — CID 63025884

IUPAC2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazole-5-carbaldehyde
SMILESCN(Cc1nccn1C)c1ncc(C=O)s1
InChIInChI=1S/C10H12N4OS/c1-13-4-3-11-9(13)6-14(2)10-12-5-8(7-15)16-10/h3-5,7H,6H2,1-2H3
InChIKeySGLQDCAYQOCFID-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.33
Rot. Bonds4

About 2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazole-5-carbaldehyde

2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazole-5-carbaldehyde (PubChem CID 63025884) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazole-5-carbaldehyde
PubChem CID63025884
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazole-5-carbaldehyde
SMILESCN(Cc1nccn1C)c1ncc(C=O)s1
InChIInChI=1S/C10H12N4OS/c1-13-4-3-11-9(13)6-14(2)10-12-5-8(7-15)16-10/h3-5,7H,6H2,1-2H3
InChIKeySGLQDCAYQOCFID-UHFFFAOYSA-N
XLogP1.33
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazole-5-carbaldehyde (CID 63025884) is 2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazole-5-carbaldehyde is CN(Cc1nccn1C)c1ncc(C=O)s1.
What is the InChIKey of 2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazole-5-carbaldehyde?
The InChIKey is SGLQDCAYQOCFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-13-4-3-11-9(13)6-14(2)10-12-5-8(7-15)16-10/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazole-5-carbaldehyde?
2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazole-5-carbaldehyde has a molecular weight of 236.30 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 63025884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).