ethyl 4-cyclopropyl-2-thiomorpholin-3-yl-1,3-thiazole-5-carboxylate

C13H18N2O2S2 — CID 114358926

IUPACethyl 4-cyclopropyl-2-thiomorpholin-3-yl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(C2CSCCN2)nc1C1CC1
InChIInChI=1S/C13H18N2O2S2/c1-2-17-13(16)11-10(8-3-4-8)15-12(19-11)9-7-18-6-5-14-9/h8-9,14H,2-7H2,1H3
InChIKeyOISRQHFNGUGUER-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.57
Rot. Bonds4

About ethyl 4-cyclopropyl-2-thiomorpholin-3-yl-1,3-thiazole-5-carboxylate

ethyl 4-cyclopropyl-2-thiomorpholin-3-yl-1,3-thiazole-5-carboxylate (PubChem CID 114358926) has the molecular formula C13H18N2O2S2 and a molecular weight of 298.43 g/mol. Its IUPAC name is ethyl 4-cyclopropyl-2-thiomorpholin-3-yl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-cyclopropyl-2-thiomorpholin-3-yl-1,3-thiazole-5-carboxylate
PubChem CID114358926
Molecular FormulaC13H18N2O2S2
Molecular Weight298.43 g/mol
Exact Mass298.08
IUPAC Nameethyl 4-cyclopropyl-2-thiomorpholin-3-yl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(C2CSCCN2)nc1C1CC1
InChIInChI=1S/C13H18N2O2S2/c1-2-17-13(16)11-10(8-3-4-8)15-12(19-11)9-7-18-6-5-14-9/h8-9,14H,2-7H2,1H3
InChIKeyOISRQHFNGUGUER-UHFFFAOYSA-N
XLogP2.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-ethyl-2-piperidin-2-yl-1,3-thiazole-5-carboxylate
CID 113459519
ethyl 2-cyclopropyl-4-(hydroxymethyl)-1,3-thiazole-5-carboxylate
CID 163219311
ethyl 4-methyl-2-[(3R)-piperidin-3-yl]-1,3-thiazole-5-carboxylate
CID 124513905
ethyl 4-cyclopropyl-2-methylpyrimidine-5-carboxylate
CID 22831806
ethyl 5-acetyl-2-(4-methylcyclohexyl)-1,3-thiazole-4-carboxylate
CID 107376074
ethyl 5-bromo-3-(thiolan-3-yl)thiophene-2-carboxylate
CID 165449475
ethyl 2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 40611193
ethyl 4-(cyclopentylmethyl)-2-ethyl-1,3-thiazole-5-carboxylate
CID 69484821
ethyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate
CID 140688887
ethyl 5-methyl-2-(1,4-oxathian-2-yl)-1,3-thiazole-4-carboxylate
CID 116526300
ethyl 5-amino-3-cyclopropylthiophene-2-carboxylate
CID 136575637
ethyl 2-cyclopropyl-5-ethyl-6-methylpyridine-3-carboxylate
CID 116533608

Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyclopropyl-2-thiomorpholin-3-yl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-cyclopropyl-2-thiomorpholin-3-yl-1,3-thiazole-5-carboxylate (CID 114358926) is ethyl 4-cyclopropyl-2-thiomorpholin-3-yl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-cyclopropyl-2-thiomorpholin-3-yl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-cyclopropyl-2-thiomorpholin-3-yl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(C2CSCCN2)nc1C1CC1.
What is the InChIKey of ethyl 4-cyclopropyl-2-thiomorpholin-3-yl-1,3-thiazole-5-carboxylate?
The InChIKey is OISRQHFNGUGUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S2/c1-2-17-13(16)11-10(8-3-4-8)15-12(19-11)9-7-18-6-5-14-9/h8-9,14H,2-7H2,1H3.
What are the key properties of ethyl 4-cyclopropyl-2-thiomorpholin-3-yl-1,3-thiazole-5-carboxylate?
ethyl 4-cyclopropyl-2-thiomorpholin-3-yl-1,3-thiazole-5-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyclopropyl-2-thiomorpholin-3-yl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 114358926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).