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

C14H14N2O2S — CID 143451884

IUPACethyl 2-cyclopropyl-5-pyridin-3-yl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C2CC2)sc1-c1cccnc1
InChIInChI=1S/C14H14N2O2S/c1-2-18-14(17)11-12(10-4-3-7-15-8-10)19-13(16-11)9-5-6-9/h3-4,7-9H,2,5-6H2,1H3
InChIKeyDMVKVWZXFRHHQB-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.26
Rot. Bonds4

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

ethyl 2-cyclopropyl-5-pyridin-3-yl-1,3-thiazole-4-carboxylate (PubChem CID 143451884) has the molecular formula C14H14N2O2S and a molecular weight of 274.34 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-5-pyridin-3-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-5-pyridin-3-yl-1,3-thiazole-4-carboxylate
PubChem CID143451884
Molecular FormulaC14H14N2O2S
Molecular Weight274.34 g/mol
Exact Mass274.08
IUPAC Nameethyl 2-cyclopropyl-5-pyridin-3-yl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C2CC2)sc1-c1cccnc1
InChIInChI=1S/C14H14N2O2S/c1-2-18-14(17)11-12(10-4-3-7-15-8-10)19-13(16-11)9-5-6-9/h3-4,7-9H,2,5-6H2,1H3
InChIKeyDMVKVWZXFRHHQB-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 ≤ 500274.34
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-5-pyridin-3-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-cyclopropyl-5-pyridin-3-yl-1,3-thiazole-4-carboxylate (CID 143451884) is ethyl 2-cyclopropyl-5-pyridin-3-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-cyclopropyl-5-pyridin-3-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-cyclopropyl-5-pyridin-3-yl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(C2CC2)sc1-c1cccnc1.
What is the InChIKey of ethyl 2-cyclopropyl-5-pyridin-3-yl-1,3-thiazole-4-carboxylate?
The InChIKey is DMVKVWZXFRHHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-2-18-14(17)11-12(10-4-3-7-15-8-10)19-13(16-11)9-5-6-9/h3-4,7-9H,2,5-6H2,1H3.
What are the key properties of ethyl 2-cyclopropyl-5-pyridin-3-yl-1,3-thiazole-4-carboxylate?
ethyl 2-cyclopropyl-5-pyridin-3-yl-1,3-thiazole-4-carboxylate has a molecular weight of 274.34 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 2-cyclopropyl-5-pyridin-3-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 143451884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).