(2,4-dimethyl-1,3-thiazol-5-yl)methyl 2-imidazol-1-ylpyridine-4-carboxylate

C15H14N4O2S — CID 75523078

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)methyl 2-imidazol-1-ylpyridine-4-carboxylate
SMILESCc1nc(C)c(COC(=O)c2ccnc(-n3ccnc3)c2)s1
InChIInChI=1S/C15H14N4O2S/c1-10-13(22-11(2)18-10)8-21-15(20)12-3-4-17-14(7-12)19-6-5-16-9-19/h3-7,9H,8H2,1-2H3
InChIKeyRZRCRLBVHFLRIM-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.70
Rot. Bonds4

About (2,4-dimethyl-1,3-thiazol-5-yl)methyl 2-imidazol-1-ylpyridine-4-carboxylate

(2,4-dimethyl-1,3-thiazol-5-yl)methyl 2-imidazol-1-ylpyridine-4-carboxylate (PubChem CID 75523078) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)methyl 2-imidazol-1-ylpyridine-4-carboxylate.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)methyl 2-imidazol-1-ylpyridine-4-carboxylate
PubChem CID75523078
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)methyl 2-imidazol-1-ylpyridine-4-carboxylate
SMILESCc1nc(C)c(COC(=O)c2ccnc(-n3ccnc3)c2)s1
InChIInChI=1S/C15H14N4O2S/c1-10-13(22-11(2)18-10)8-21-15(20)12-3-4-17-14(7-12)19-6-5-16-9-19/h3-7,9H,8H2,1-2H3
InChIKeyRZRCRLBVHFLRIM-UHFFFAOYSA-N
XLogP2.70
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)methyl 2-imidazol-1-ylpyridine-4-carboxylate?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)methyl 2-imidazol-1-ylpyridine-4-carboxylate (CID 75523078) is (2,4-dimethyl-1,3-thiazol-5-yl)methyl 2-imidazol-1-ylpyridine-4-carboxylate.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)methyl 2-imidazol-1-ylpyridine-4-carboxylate?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)methyl 2-imidazol-1-ylpyridine-4-carboxylate is Cc1nc(C)c(COC(=O)c2ccnc(-n3ccnc3)c2)s1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)methyl 2-imidazol-1-ylpyridine-4-carboxylate?
The InChIKey is RZRCRLBVHFLRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-10-13(22-11(2)18-10)8-21-15(20)12-3-4-17-14(7-12)19-6-5-16-9-19/h3-7,9H,8H2,1-2H3.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)methyl 2-imidazol-1-ylpyridine-4-carboxylate?
(2,4-dimethyl-1,3-thiazol-5-yl)methyl 2-imidazol-1-ylpyridine-4-carboxylate has a molecular weight of 314.37 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)methyl 2-imidazol-1-ylpyridine-4-carboxylate is sourced from PubChem (CID 75523078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).