methyl 5-(3-methoxypropyl)-2-methyl-1,3-thiazole-4-carboxylate

C10H15NO3S — CID 126482957

IUPACmethyl 5-(3-methoxypropyl)-2-methyl-1,3-thiazole-4-carboxylate
SMILESCOCCCc1sc(C)nc1C(=O)OC
InChIInChI=1S/C10H15NO3S/c1-7-11-9(10(12)14-3)8(15-7)5-4-6-13-2/h4-6H2,1-3H3
InChIKeyOEYNLTLWCFHLJI-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.82
Rot. Bonds5

About methyl 5-(3-methoxypropyl)-2-methyl-1,3-thiazole-4-carboxylate

methyl 5-(3-methoxypropyl)-2-methyl-1,3-thiazole-4-carboxylate (PubChem CID 126482957) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is methyl 5-(3-methoxypropyl)-2-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-methoxypropyl)-2-methyl-1,3-thiazole-4-carboxylate
PubChem CID126482957
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Namemethyl 5-(3-methoxypropyl)-2-methyl-1,3-thiazole-4-carboxylate
SMILESCOCCCc1sc(C)nc1C(=O)OC
InChIInChI=1S/C10H15NO3S/c1-7-11-9(10(12)14-3)8(15-7)5-4-6-13-2/h4-6H2,1-3H3
InChIKeyOEYNLTLWCFHLJI-UHFFFAOYSA-N
XLogP1.82
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 5-ethyl-2-methyl-1,3-thiazole-4-carboxylate
CID 4275287
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methoxypropyl)acetamide
CID 110328764
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)propanamide
CID 110678797
methyl 5-(carbamoylamino)-2-methyl-1,3-thiazole-4-carboxylate
CID 172584056
5-(3-methoxypropyl)-2-phenyl-1,3-thiazole-4-carbonyl chloride
CID 58551896
2-(2-amino-4-methoxycarbonyl-1,3-thiazol-5-yl)acetic acid
CID 20788301
methyl 5-butyl-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxylate
CID 59345196
methyl 2-chloro-5-[3-(2-fluoro-4-iodophenoxy)propyl]-1,3-thiazole-4-carboxylate
CID 167519876
ethyl 2-amino-5-(3-chloropropyl)-1,3-thiazole-4-carboxylate
CID 59418686
methyl 2-[(2-methoxyethylamino)methyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 115422071
ethyl 5-(2-hydroxy-2-methoxyethyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 141485375
N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-(3-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 91405330

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-methoxypropyl)-2-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-(3-methoxypropyl)-2-methyl-1,3-thiazole-4-carboxylate (CID 126482957) is methyl 5-(3-methoxypropyl)-2-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-(3-methoxypropyl)-2-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-(3-methoxypropyl)-2-methyl-1,3-thiazole-4-carboxylate is COCCCc1sc(C)nc1C(=O)OC.
What is the InChIKey of methyl 5-(3-methoxypropyl)-2-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is OEYNLTLWCFHLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-7-11-9(10(12)14-3)8(15-7)5-4-6-13-2/h4-6H2,1-3H3.
What are the key properties of methyl 5-(3-methoxypropyl)-2-methyl-1,3-thiazole-4-carboxylate?
methyl 5-(3-methoxypropyl)-2-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 229.30 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-methoxypropyl)-2-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 126482957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).