ethyl 3-propyl-1,2-thiazole-4-carboxylate

C9H13NO2S — CID 127263091

IUPACethyl 3-propyl-1,2-thiazole-4-carboxylate
SMILESCCCc1nscc1C(=O)OCC
InChIInChI=1S/C9H13NO2S/c1-3-5-8-7(6-13-10-8)9(11)12-4-2/h6H,3-5H2,1-2H3
InChIKeyPYOOTBFDNBUIQP-UHFFFAOYSA-N
MW199.27 g/mol
LogP2.27
Rot. Bonds4

About ethyl 3-propyl-1,2-thiazole-4-carboxylate

ethyl 3-propyl-1,2-thiazole-4-carboxylate (PubChem CID 127263091) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is ethyl 3-propyl-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-propyl-1,2-thiazole-4-carboxylate
PubChem CID127263091
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Nameethyl 3-propyl-1,2-thiazole-4-carboxylate
SMILESCCCc1nscc1C(=O)OCC
InChIInChI=1S/C9H13NO2S/c1-3-5-8-7(6-13-10-8)9(11)12-4-2/h6H,3-5H2,1-2H3
InChIKeyPYOOTBFDNBUIQP-UHFFFAOYSA-N
XLogP2.27
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-ethyl-2-methyl-6-propylpyridine-3-carboxylate
CID 112561934
ethyl 2-amino-3-propylbenzoate
CID 60835647
ethyl 6-(3-methylthiophen-2-yl)-2-propylpyridine-3-carboxylate
CID 116533106
ethyl 4-propyl-1,3-thiazole-2-carboxylate
CID 62042144
ethyl 2-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxylate
CID 116533140
cyanomethyl 3-methyl-1,2-thiazole-4-carboxylate
CID 130676104
ethyl 2-[2-(dimethylamino)ethyl]-4-propylpyrimidine-5-carboxylate
CID 102972759
diethyl 5-propylpyridine-2,3-dicarboxylate
CID 14097634
ethyl 6-propyl-1,3-benzodioxole-5-carboxylate
CID 91664941
ethyl 2-(1-methylsulfonylethyl)-4-propylpyrimidine-5-carboxylate
CID 102972679
ethyl 2-propyl-6-pyrazin-2-ylpyridine-3-carboxylate
CID 116533107
carbonic acid;ethyl 2-propylbenzoate
CID 174721035

Frequently Asked Questions

What is the IUPAC name of ethyl 3-propyl-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 3-propyl-1,2-thiazole-4-carboxylate (CID 127263091) is ethyl 3-propyl-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 3-propyl-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 3-propyl-1,2-thiazole-4-carboxylate is CCCc1nscc1C(=O)OCC.
What is the InChIKey of ethyl 3-propyl-1,2-thiazole-4-carboxylate?
The InChIKey is PYOOTBFDNBUIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-3-5-8-7(6-13-10-8)9(11)12-4-2/h6H,3-5H2,1-2H3.
What are the key properties of ethyl 3-propyl-1,2-thiazole-4-carboxylate?
ethyl 3-propyl-1,2-thiazole-4-carboxylate has a molecular weight of 199.27 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-propyl-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 127263091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).