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

C14H14N2O2S — CID 171095847

IUPACethyl 4-cyclopropyl-3-pyridin-4-yl-1,2-thiazole-5-carboxylate
SMILESCCOC(=O)c1snc(-c2ccncc2)c1C1CC1
InChIInChI=1S/C14H14N2O2S/c1-2-18-14(17)13-11(9-3-4-9)12(16-19-13)10-5-7-15-8-6-10/h5-9H,2-4H2,1H3
InChIKeyNWZYOOLPMQQFJY-UHFFFAOYSA-N
MW274.35 g/mol
LogP3.26
Rot. Bonds4

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

ethyl 4-cyclopropyl-3-pyridin-4-yl-1,2-thiazole-5-carboxylate (PubChem CID 171095847) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is ethyl 4-cyclopropyl-3-pyridin-4-yl-1,2-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-cyclopropyl-3-pyridin-4-yl-1,2-thiazole-5-carboxylate
PubChem CID171095847
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Nameethyl 4-cyclopropyl-3-pyridin-4-yl-1,2-thiazole-5-carboxylate
SMILESCCOC(=O)c1snc(-c2ccncc2)c1C1CC1
InChIInChI=1S/C14H14N2O2S/c1-2-18-14(17)13-11(9-3-4-9)12(16-19-13)10-5-7-15-8-6-10/h5-9H,2-4H2,1H3
InChIKeyNWZYOOLPMQQFJY-UHFFFAOYSA-N
XLogP3.26
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-cyclopropyl-3-quinolin-5-yl-1,2-thiazole-5-carboxylate
CID 171096275
ethyl 4-(cyclopropanecarbonylamino)-3-phenyl-1,2-thiazole-5-carboxylate
CID 42883070
ethyl 3-(4-acetamidophenyl)-4-amino-1,2-thiazole-5-carboxylate
CID 134095187
ethyl 4-amino-3-(4-nitrophenyl)-1,2-thiazole-5-carboxylate
CID 12553631
tetraethyl 4-pyridin-4-ylpyridine-2,3,5,6-tetracarboxylate
CID 4086243
ethyl 2-cyclopropyl-4-(hydroxymethyl)-1,3-thiazole-5-carboxylate
CID 163219311
ethyl 2-fluoro-3,6-dipyridin-4-ylbenzoate
CID 46317978
ethyl 4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrole-2-carboxylate
CID 59988458
ethyl 5-methyl-2-pyridin-4-yl-1,3-thiazole-4-carboxylate
CID 112693784
ethyl 3,6-dipyridin-4-ylpyridine-2-carboxylate
CID 46317820
ethyl 5-cyclopropyl-1-(pyridin-4-ylmethyl)triazole-4-carboxylate
CID 103106697
ethyl 3-cyclopropyl-5-[5-(4-cyclopropyl-5-ethoxycarbonylthiophen-2-yl)thiophen-2-yl]thiophene-2-carboxylate
CID 71681447

Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyclopropyl-3-pyridin-4-yl-1,2-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-cyclopropyl-3-pyridin-4-yl-1,2-thiazole-5-carboxylate (CID 171095847) is ethyl 4-cyclopropyl-3-pyridin-4-yl-1,2-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-cyclopropyl-3-pyridin-4-yl-1,2-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-cyclopropyl-3-pyridin-4-yl-1,2-thiazole-5-carboxylate is CCOC(=O)c1snc(-c2ccncc2)c1C1CC1.
What is the InChIKey of ethyl 4-cyclopropyl-3-pyridin-4-yl-1,2-thiazole-5-carboxylate?
The InChIKey is NWZYOOLPMQQFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-2-18-14(17)13-11(9-3-4-9)12(16-19-13)10-5-7-15-8-6-10/h5-9H,2-4H2,1H3.
What are the key properties of ethyl 4-cyclopropyl-3-pyridin-4-yl-1,2-thiazole-5-carboxylate?
ethyl 4-cyclopropyl-3-pyridin-4-yl-1,2-thiazole-5-carboxylate has a molecular weight of 274.35 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyclopropyl-3-pyridin-4-yl-1,2-thiazole-5-carboxylate is sourced from PubChem (CID 171095847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).