methyl 5-methyl-2-(3-propylimidazol-4-yl)-1,3-thiazole-4-carboxylate

C12H15N3O2S — CID 115422280

IUPACmethyl 5-methyl-2-(3-propylimidazol-4-yl)-1,3-thiazole-4-carboxylate
SMILESCCCn1cncc1-c1nc(C(=O)OC)c(C)s1
InChIInChI=1S/C12H15N3O2S/c1-4-5-15-7-13-6-9(15)11-14-10(8(2)18-11)12(16)17-3/h6-7H,4-5H2,1-3H3
InChIKeyTWYPCGNTGGVTBL-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.51
Rot. Bonds4

About methyl 5-methyl-2-(3-propylimidazol-4-yl)-1,3-thiazole-4-carboxylate

methyl 5-methyl-2-(3-propylimidazol-4-yl)-1,3-thiazole-4-carboxylate (PubChem CID 115422280) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is methyl 5-methyl-2-(3-propylimidazol-4-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2-(3-propylimidazol-4-yl)-1,3-thiazole-4-carboxylate
PubChem CID115422280
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Namemethyl 5-methyl-2-(3-propylimidazol-4-yl)-1,3-thiazole-4-carboxylate
SMILESCCCn1cncc1-c1nc(C(=O)OC)c(C)s1
InChIInChI=1S/C12H15N3O2S/c1-4-5-15-7-13-6-9(15)11-14-10(8(2)18-11)12(16)17-3/h6-7H,4-5H2,1-3H3
InChIKeyTWYPCGNTGGVTBL-UHFFFAOYSA-N
XLogP2.51
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-(3-propylimidazol-4-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-methyl-2-(3-propylimidazol-4-yl)-1,3-thiazole-4-carboxylate (CID 115422280) is methyl 5-methyl-2-(3-propylimidazol-4-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-methyl-2-(3-propylimidazol-4-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-methyl-2-(3-propylimidazol-4-yl)-1,3-thiazole-4-carboxylate is CCCn1cncc1-c1nc(C(=O)OC)c(C)s1.
What is the InChIKey of methyl 5-methyl-2-(3-propylimidazol-4-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is TWYPCGNTGGVTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-4-5-15-7-13-6-9(15)11-14-10(8(2)18-11)12(16)17-3/h6-7H,4-5H2,1-3H3.
What are the key properties of methyl 5-methyl-2-(3-propylimidazol-4-yl)-1,3-thiazole-4-carboxylate?
methyl 5-methyl-2-(3-propylimidazol-4-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 265.34 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-(3-propylimidazol-4-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115422280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).