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

C11H13N3O2S — CID 115422185

IUPACmethyl 2-(3-propylimidazol-4-yl)-1,3-thiazole-4-carboxylate
SMILESCCCn1cncc1-c1nc(C(=O)OC)cs1
InChIInChI=1S/C11H13N3O2S/c1-3-4-14-7-12-5-9(14)10-13-8(6-17-10)11(15)16-2/h5-7H,3-4H2,1-2H3
InChIKeyLTRYPGMTUNDMSA-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.20
Rot. Bonds4

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

methyl 2-(3-propylimidazol-4-yl)-1,3-thiazole-4-carboxylate (PubChem CID 115422185) 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-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-propylimidazol-4-yl)-1,3-thiazole-4-carboxylate
PubChem CID115422185
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Namemethyl 2-(3-propylimidazol-4-yl)-1,3-thiazole-4-carboxylate
SMILESCCCn1cncc1-c1nc(C(=O)OC)cs1
InChIInChI=1S/C11H13N3O2S/c1-3-4-14-7-12-5-9(14)10-13-8(6-17-10)11(15)16-2/h5-7H,3-4H2,1-2H3
InChIKeyLTRYPGMTUNDMSA-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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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-propylimidazol-4-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(3-propylimidazol-4-yl)-1,3-thiazole-4-carboxylate (CID 115422185) is methyl 2-(3-propylimidazol-4-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(3-propylimidazol-4-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(3-propylimidazol-4-yl)-1,3-thiazole-4-carboxylate is CCCn1cncc1-c1nc(C(=O)OC)cs1.
What is the InChIKey of methyl 2-(3-propylimidazol-4-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is LTRYPGMTUNDMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-3-4-14-7-12-5-9(14)10-13-8(6-17-10)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-4-carboxylate?
methyl 2-(3-propylimidazol-4-yl)-1,3-thiazole-4-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-4-carboxylate is sourced from PubChem (CID 115422185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).