methyl 5-oxo-5-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoate

C12H18N2O3S — CID 22170747

IUPACmethyl 5-oxo-5-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoate
SMILESCOC(=O)CCCC(=O)Nc1ncc(C(C)C)s1
InChIInChI=1S/C12H18N2O3S/c1-8(2)9-7-13-12(18-9)14-10(15)5-4-6-11(16)17-3/h7-8H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyFRLOVRFTWPUWLM-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.55
Rot. Bonds6

About methyl 5-oxo-5-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoate

methyl 5-oxo-5-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoate (PubChem CID 22170747) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is methyl 5-oxo-5-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 5-oxo-5-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoate
PubChem CID22170747
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Namemethyl 5-oxo-5-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoate
SMILESCOC(=O)CCCC(=O)Nc1ncc(C(C)C)s1
InChIInChI=1S/C12H18N2O3S/c1-8(2)9-7-13-12(18-9)14-10(15)5-4-6-11(16)17-3/h7-8H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyFRLOVRFTWPUWLM-UHFFFAOYSA-N
XLogP2.55
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-5-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoate?
The IUPAC name of methyl 5-oxo-5-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoate (CID 22170747) is methyl 5-oxo-5-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoate.
What is the SMILES notation for methyl 5-oxo-5-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoate?
The canonical SMILES for methyl 5-oxo-5-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoate is COC(=O)CCCC(=O)Nc1ncc(C(C)C)s1.
What is the InChIKey of methyl 5-oxo-5-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoate?
The InChIKey is FRLOVRFTWPUWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-8(2)9-7-13-12(18-9)14-10(15)5-4-6-11(16)17-3/h7-8H,4-6H2,1-3H3,(H,13,14,15).
What are the key properties of methyl 5-oxo-5-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoate?
methyl 5-oxo-5-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoate has a molecular weight of 270.35 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-5-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoate is sourced from PubChem (CID 22170747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).