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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Related Compounds

methyl 5-acetyl-2-(3-propylimidazol-4-yl)-1,3-thiazole-4-carboxylate
CID 106696007
methyl 2-(3-propylimidazol-4-yl)-1,3-thiazole-5-carboxylate
CID 80573879
methyl 2-(3-propylimidazol-4-yl)-1,3-thiazole-4-carboxylate
CID 115422185
methyl 2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 114556482
ethyl 5-methyl-2-(3-propan-2-ylimidazol-4-yl)-1,3-thiazole-4-carboxylate
CID 116526058
methyl 5-methyl-2-(1-methylimidazol-2-yl)-1,3-thiazole-4-carboxylate
CID 115422895
methyl 5-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate
CID 115422266
2-[2-(3-propylimidazol-4-yl)-1,3-thiazol-4-yl]acetic acid
CID 66141275
methyl 2-(2,6-dimethyl-4-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 107502186
methyl 2-(5-chlorothiophen-2-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115422274
[2-(3-propylimidazol-4-yl)-1,3-thiazol-5-yl]methanol
CID 66139508
methyl 2-(5-chloro-3-pyridinyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 122476562

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).