propyl 4-methyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanoate

C15H25NO2S — CID 70669302

IUPACpropyl 4-methyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanoate
SMILESCCCOC(=O)CC(c1ncc(C(C)C)s1)C(C)C
InChIInChI=1S/C15H25NO2S/c1-6-7-18-14(17)8-12(10(2)3)15-16-9-13(19-15)11(4)5/h9-12H,6-8H2,1-5H3
InChIKeyOKYJDZRRSXNXFG-UHFFFAOYSA-N
MW283.44 g/mol
LogP4.35
Rot. Bonds7

About propyl 4-methyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanoate

propyl 4-methyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanoate (PubChem CID 70669302) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is propyl 4-methyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanoate.

Molecular Properties

Compound Namepropyl 4-methyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanoate
PubChem CID70669302
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Namepropyl 4-methyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanoate
SMILESCCCOC(=O)CC(c1ncc(C(C)C)s1)C(C)C
InChIInChI=1S/C15H25NO2S/c1-6-7-18-14(17)8-12(10(2)3)15-16-9-13(19-15)11(4)5/h9-12H,6-8H2,1-5H3
InChIKeyOKYJDZRRSXNXFG-UHFFFAOYSA-N
XLogP4.35
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl 4-methyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanoate?
The IUPAC name of propyl 4-methyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanoate (CID 70669302) is propyl 4-methyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanoate.
What is the SMILES notation for propyl 4-methyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanoate?
The canonical SMILES for propyl 4-methyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanoate is CCCOC(=O)CC(c1ncc(C(C)C)s1)C(C)C.
What is the InChIKey of propyl 4-methyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanoate?
The InChIKey is OKYJDZRRSXNXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-6-7-18-14(17)8-12(10(2)3)15-16-9-13(19-15)11(4)5/h9-12H,6-8H2,1-5H3.
What are the key properties of propyl 4-methyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanoate?
propyl 4-methyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanoate has a molecular weight of 283.44 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-methyl-3-(5-propan-2-yl-1,3-thiazol-2-yl)pentanoate is sourced from PubChem (CID 70669302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).