ethyl 5-methyl-2-[5-(2-methylcyclopropyl)furan-2-yl]-1,3-thiazole-4-carboxylate

C15H17NO3S — CID 116526089

IUPACethyl 5-methyl-2-[5-(2-methylcyclopropyl)furan-2-yl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(C3CC3C)o2)sc1C
InChIInChI=1S/C15H17NO3S/c1-4-18-15(17)13-9(3)20-14(16-13)12-6-5-11(19-12)10-7-8(10)2/h5-6,8,10H,4,7H2,1-3H3
InChIKeySMRSYDKQNPMORG-UHFFFAOYSA-N
MW291.37 g/mol
LogP4.01
Rot. Bonds4

About ethyl 5-methyl-2-[5-(2-methylcyclopropyl)furan-2-yl]-1,3-thiazole-4-carboxylate

ethyl 5-methyl-2-[5-(2-methylcyclopropyl)furan-2-yl]-1,3-thiazole-4-carboxylate (PubChem CID 116526089) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is ethyl 5-methyl-2-[5-(2-methylcyclopropyl)furan-2-yl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-[5-(2-methylcyclopropyl)furan-2-yl]-1,3-thiazole-4-carboxylate
PubChem CID116526089
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Nameethyl 5-methyl-2-[5-(2-methylcyclopropyl)furan-2-yl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2ccc(C3CC3C)o2)sc1C
InChIInChI=1S/C15H17NO3S/c1-4-18-15(17)13-9(3)20-14(16-13)12-6-5-11(19-12)10-7-8(10)2/h5-6,8,10H,4,7H2,1-3H3
InChIKeySMRSYDKQNPMORG-UHFFFAOYSA-N
XLogP4.01
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-[5-(2-methylcyclopropyl)furan-2-yl]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-2-[5-(2-methylcyclopropyl)furan-2-yl]-1,3-thiazole-4-carboxylate (CID 116526089) is ethyl 5-methyl-2-[5-(2-methylcyclopropyl)furan-2-yl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-[5-(2-methylcyclopropyl)furan-2-yl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-[5-(2-methylcyclopropyl)furan-2-yl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(-c2ccc(C3CC3C)o2)sc1C.
What is the InChIKey of ethyl 5-methyl-2-[5-(2-methylcyclopropyl)furan-2-yl]-1,3-thiazole-4-carboxylate?
The InChIKey is SMRSYDKQNPMORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-4-18-15(17)13-9(3)20-14(16-13)12-6-5-11(19-12)10-7-8(10)2/h5-6,8,10H,4,7H2,1-3H3.
What are the key properties of ethyl 5-methyl-2-[5-(2-methylcyclopropyl)furan-2-yl]-1,3-thiazole-4-carboxylate?
ethyl 5-methyl-2-[5-(2-methylcyclopropyl)furan-2-yl]-1,3-thiazole-4-carboxylate has a molecular weight of 291.37 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-[5-(2-methylcyclopropyl)furan-2-yl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 116526089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).