methyl 3-(2-propan-2-yl-1,3-thiazol-5-yl)propanoate

C10H15NO2S — CID 58898126

IUPACmethyl 3-(2-propan-2-yl-1,3-thiazol-5-yl)propanoate
SMILESCOC(=O)CCc1cnc(C(C)C)s1
InChIInChI=1S/C10H15NO2S/c1-7(2)10-11-6-8(14-10)4-5-9(12)13-3/h6-7H,4-5H2,1-3H3
InChIKeyCKSDIRGOVFTOKV-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.37
Rot. Bonds4

About methyl 3-(2-propan-2-yl-1,3-thiazol-5-yl)propanoate

methyl 3-(2-propan-2-yl-1,3-thiazol-5-yl)propanoate (PubChem CID 58898126) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is methyl 3-(2-propan-2-yl-1,3-thiazol-5-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-propan-2-yl-1,3-thiazol-5-yl)propanoate
PubChem CID58898126
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Namemethyl 3-(2-propan-2-yl-1,3-thiazol-5-yl)propanoate
SMILESCOC(=O)CCc1cnc(C(C)C)s1
InChIInChI=1S/C10H15NO2S/c1-7(2)10-11-6-8(14-10)4-5-9(12)13-3/h6-7H,4-5H2,1-3H3
InChIKeyCKSDIRGOVFTOKV-UHFFFAOYSA-N
XLogP2.37
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-propan-2-yl-1,3-thiazol-5-yl)propanoate?
The IUPAC name of methyl 3-(2-propan-2-yl-1,3-thiazol-5-yl)propanoate (CID 58898126) is methyl 3-(2-propan-2-yl-1,3-thiazol-5-yl)propanoate.
What is the SMILES notation for methyl 3-(2-propan-2-yl-1,3-thiazol-5-yl)propanoate?
The canonical SMILES for methyl 3-(2-propan-2-yl-1,3-thiazol-5-yl)propanoate is COC(=O)CCc1cnc(C(C)C)s1.
What is the InChIKey of methyl 3-(2-propan-2-yl-1,3-thiazol-5-yl)propanoate?
The InChIKey is CKSDIRGOVFTOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-7(2)10-11-6-8(14-10)4-5-9(12)13-3/h6-7H,4-5H2,1-3H3.
What are the key properties of methyl 3-(2-propan-2-yl-1,3-thiazol-5-yl)propanoate?
methyl 3-(2-propan-2-yl-1,3-thiazol-5-yl)propanoate has a molecular weight of 213.30 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-propan-2-yl-1,3-thiazol-5-yl)propanoate is sourced from PubChem (CID 58898126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).