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

C11H13N3O2S — CID 80573879

IUPACmethyl 2-(3-propylimidazol-4-yl)-1,3-thiazole-5-carboxylate
SMILESCCCn1cncc1-c1ncc(C(=O)OC)s1
InChIInChI=1S/C11H13N3O2S/c1-3-4-14-7-12-5-8(14)10-13-6-9(17-10)11(15)16-2/h5-7H,3-4H2,1-2H3
InChIKeyKFLOMOHCCRTVMU-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.20
Rot. Bonds4

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

methyl 2-(3-propylimidazol-4-yl)-1,3-thiazole-5-carboxylate (PubChem CID 80573879) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is methyl 2-(3-propylimidazol-4-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-propylimidazol-4-yl)-1,3-thiazole-5-carboxylate
PubChem CID80573879
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Namemethyl 2-(3-propylimidazol-4-yl)-1,3-thiazole-5-carboxylate
SMILESCCCn1cncc1-c1ncc(C(=O)OC)s1
InChIInChI=1S/C11H13N3O2S/c1-3-4-14-7-12-5-8(14)10-13-6-9(17-10)11(15)16-2/h5-7H,3-4H2,1-2H3
InChIKeyKFLOMOHCCRTVMU-UHFFFAOYSA-N
XLogP2.20
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-methyl-2-(3-propylimidazol-4-yl)-1,3-thiazole-4-carboxylate
CID 115422280
methyl 2-(3-propylimidazol-4-yl)-1,3-thiazole-4-carboxylate
CID 115422185
methyl 5-acetyl-2-(3-propylimidazol-4-yl)-1,3-thiazole-4-carboxylate
CID 106696007
1-[2-(3-ethylimidazol-4-yl)-1,3-thiazol-5-yl]ethanone
CID 66135458
[2-(3-propylimidazol-4-yl)-1,3-thiazol-5-yl]methanol
CID 66139508
methyl 2-(1-propylpyrazol-4-yl)-1,3-thiazole-5-carboxylate
CID 103572384
methyl 2-(1-ethylpyrazol-4-yl)-1,3-thiazole-5-carboxylate
CID 103570067
2-[(E)-2-(3-propylimidazol-4-yl)ethenyl]-1,3-thiazole-5-carboxylic acid
CID 166264391
methyl 2-(1-methyltriazol-4-yl)-1,3-thiazole-5-carboxylate
CID 130598615
2-[2-(3-propylimidazol-4-yl)-1,3-thiazol-4-yl]acetic acid
CID 66141275
methyl 2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
CID 57362704
methyl 2-[4-(difluoromethyl)phenyl]-1,3-thiazole-5-carboxylate
CID 115524717

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-propylimidazol-4-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(3-propylimidazol-4-yl)-1,3-thiazole-5-carboxylate (CID 80573879) is methyl 2-(3-propylimidazol-4-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(3-propylimidazol-4-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(3-propylimidazol-4-yl)-1,3-thiazole-5-carboxylate is CCCn1cncc1-c1ncc(C(=O)OC)s1.
What is the InChIKey of methyl 2-(3-propylimidazol-4-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is KFLOMOHCCRTVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-3-4-14-7-12-5-8(14)10-13-6-9(17-10)11(15)16-2/h5-7H,3-4H2,1-2H3.
What are the key properties of methyl 2-(3-propylimidazol-4-yl)-1,3-thiazole-5-carboxylate?
methyl 2-(3-propylimidazol-4-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 251.31 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-propylimidazol-4-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80573879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).