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

C18H16N2O2S — CID 171096275

IUPACethyl 4-cyclopropyl-3-quinolin-5-yl-1,2-thiazole-5-carboxylate
SMILESCCOC(=O)c1snc(-c2cccc3ncccc23)c1C1CC1
InChIInChI=1S/C18H16N2O2S/c1-2-22-18(21)17-15(11-8-9-11)16(20-23-17)13-5-3-7-14-12(13)6-4-10-19-14/h3-7,10-11H,2,8-9H2,1H3
InChIKeyNTSCBBCDZIOACU-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.41
Rot. Bonds4

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

ethyl 4-cyclopropyl-3-quinolin-5-yl-1,2-thiazole-5-carboxylate (PubChem CID 171096275) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is ethyl 4-cyclopropyl-3-quinolin-5-yl-1,2-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-cyclopropyl-3-quinolin-5-yl-1,2-thiazole-5-carboxylate
PubChem CID171096275
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Nameethyl 4-cyclopropyl-3-quinolin-5-yl-1,2-thiazole-5-carboxylate
SMILESCCOC(=O)c1snc(-c2cccc3ncccc23)c1C1CC1
InChIInChI=1S/C18H16N2O2S/c1-2-22-18(21)17-15(11-8-9-11)16(20-23-17)13-5-3-7-14-12(13)6-4-10-19-14/h3-7,10-11H,2,8-9H2,1H3
InChIKeyNTSCBBCDZIOACU-UHFFFAOYSA-N
XLogP4.41
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyclopropyl-3-quinolin-5-yl-1,2-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-cyclopropyl-3-quinolin-5-yl-1,2-thiazole-5-carboxylate (CID 171096275) is ethyl 4-cyclopropyl-3-quinolin-5-yl-1,2-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-cyclopropyl-3-quinolin-5-yl-1,2-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-cyclopropyl-3-quinolin-5-yl-1,2-thiazole-5-carboxylate is CCOC(=O)c1snc(-c2cccc3ncccc23)c1C1CC1.
What is the InChIKey of ethyl 4-cyclopropyl-3-quinolin-5-yl-1,2-thiazole-5-carboxylate?
The InChIKey is NTSCBBCDZIOACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-2-22-18(21)17-15(11-8-9-11)16(20-23-17)13-5-3-7-14-12(13)6-4-10-19-14/h3-7,10-11H,2,8-9H2,1H3.
What are the key properties of ethyl 4-cyclopropyl-3-quinolin-5-yl-1,2-thiazole-5-carboxylate?
ethyl 4-cyclopropyl-3-quinolin-5-yl-1,2-thiazole-5-carboxylate has a molecular weight of 324.41 g/mol, XLogP of 4.41, 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-quinolin-5-yl-1,2-thiazole-5-carboxylate is sourced from PubChem (CID 171096275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).