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

C10H11ClN4OS — CID 80687706

IUPAC4-chloro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazole-5-carbaldehyde
SMILESCN(Cc1nccn1C)c1nc(Cl)c(C=O)s1
InChIInChI=1S/C10H11ClN4OS/c1-14-4-3-12-8(14)5-15(2)10-13-9(11)7(6-16)17-10/h3-4,6H,5H2,1-2H3
InChIKeyRGRJFILYYIVGQR-UHFFFAOYSA-N
MW270.75 g/mol
LogP1.98
Rot. Bonds4

About 4-chloro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazole-5-carbaldehyde

4-chloro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazole-5-carbaldehyde (PubChem CID 80687706) has the molecular formula C10H11ClN4OS and a molecular weight of 270.75 g/mol. Its IUPAC name is 4-chloro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazole-5-carbaldehyde
PubChem CID80687706
Molecular FormulaC10H11ClN4OS
Molecular Weight270.75 g/mol
Exact Mass270.03
IUPAC Name4-chloro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazole-5-carbaldehyde
SMILESCN(Cc1nccn1C)c1nc(Cl)c(C=O)s1
InChIInChI=1S/C10H11ClN4OS/c1-14-4-3-12-8(14)5-15(2)10-13-9(11)7(6-16)17-10/h3-4,6H,5H2,1-2H3
InChIKeyRGRJFILYYIVGQR-UHFFFAOYSA-N
XLogP1.98
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.75
LogP ≤ 51.98
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 4-chloro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-chloro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazole-5-carbaldehyde (CID 80687706) is 4-chloro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazole-5-carbaldehyde is CN(Cc1nccn1C)c1nc(Cl)c(C=O)s1.
What is the InChIKey of 4-chloro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazole-5-carbaldehyde?
The InChIKey is RGRJFILYYIVGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4OS/c1-14-4-3-12-8(14)5-15(2)10-13-9(11)7(6-16)17-10/h3-4,6H,5H2,1-2H3.
What are the key properties of 4-chloro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazole-5-carbaldehyde?
4-chloro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazole-5-carbaldehyde has a molecular weight of 270.75 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 80687706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).