ethyl formate;5-methyl-1,3-thiazole

C7H11NO2S — CID 174932839

IUPACethyl formate;5-methyl-1,3-thiazole
SMILESCCOC=O.Cc1cncs1
InChIInChI=1S/C4H5NS.C3H6O2/c1-4-2-5-3-6-4;1-2-5-3-4/h2-3H,1H3;3H,2H2,1H3
InChIKeyMSQPYCKXNCDFRY-UHFFFAOYSA-N
MW173.24 g/mol
LogP1.63
Rot. Bonds2

About ethyl formate;5-methyl-1,3-thiazole

ethyl formate;5-methyl-1,3-thiazole (PubChem CID 174932839) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is ethyl formate;5-methyl-1,3-thiazole.

Molecular Properties

Compound Nameethyl formate;5-methyl-1,3-thiazole
PubChem CID174932839
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Nameethyl formate;5-methyl-1,3-thiazole
SMILESCCOC=O.Cc1cncs1
InChIInChI=1S/C4H5NS.C3H6O2/c1-4-2-5-3-6-4;1-2-5-3-4/h2-3H,1H3;3H,2H2,1H3
InChIKeyMSQPYCKXNCDFRY-UHFFFAOYSA-N
XLogP1.63
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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2-butyl-1,3,4-thiadiazole;ethyl formate
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5-methyl-1,3-thiazole;1,3-thiazole
CID 161351988
2,2-dimethyl-6-[3-(1,3-thiazol-5-yl)phenyl]-1,3-dioxin-4-one;ethyl formate
CID 174427000
5-methyl-1,3-thiazole;phenol
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ethyl formate;propa-1,2-diene
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Frequently Asked Questions

What is the IUPAC name of ethyl formate;5-methyl-1,3-thiazole?
The IUPAC name of ethyl formate;5-methyl-1,3-thiazole (CID 174932839) is ethyl formate;5-methyl-1,3-thiazole.
What is the SMILES notation for ethyl formate;5-methyl-1,3-thiazole?
The canonical SMILES for ethyl formate;5-methyl-1,3-thiazole is CCOC=O.Cc1cncs1.
What is the InChIKey of ethyl formate;5-methyl-1,3-thiazole?
The InChIKey is MSQPYCKXNCDFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NS.C3H6O2/c1-4-2-5-3-6-4;1-2-5-3-4/h2-3H,1H3;3H,2H2,1H3.
What are the key properties of ethyl formate;5-methyl-1,3-thiazole?
ethyl formate;5-methyl-1,3-thiazole has a molecular weight of 173.24 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl formate;5-methyl-1,3-thiazole is sourced from PubChem (CID 174932839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).