ethyl 2-(cyclohexen-1-yl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate

C16H22N2O3S — CID 134461514

IUPACethyl 2-(cyclohexen-1-yl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C2=CCCCC2)sc1N1CCOCC1
InChIInChI=1S/C16H22N2O3S/c1-2-21-16(19)13-15(18-8-10-20-11-9-18)22-14(17-13)12-6-4-3-5-7-12/h6H,2-5,7-11H2,1H3
InChIKeyAWOQRURTMNTPGG-UHFFFAOYSA-N
MW322.43 g/mol
LogP3.11
Rot. Bonds4

About ethyl 2-(cyclohexen-1-yl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate

ethyl 2-(cyclohexen-1-yl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate (PubChem CID 134461514) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is ethyl 2-(cyclohexen-1-yl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(cyclohexen-1-yl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate
PubChem CID134461514
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Nameethyl 2-(cyclohexen-1-yl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C2=CCCCC2)sc1N1CCOCC1
InChIInChI=1S/C16H22N2O3S/c1-2-21-16(19)13-15(18-8-10-20-11-9-18)22-14(17-13)12-6-4-3-5-7-12/h6H,2-5,7-11H2,1H3
InChIKeyAWOQRURTMNTPGG-UHFFFAOYSA-N
XLogP3.11
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclohexen-1-yl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(cyclohexen-1-yl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate (CID 134461514) is ethyl 2-(cyclohexen-1-yl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(cyclohexen-1-yl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(cyclohexen-1-yl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(C2=CCCCC2)sc1N1CCOCC1.
What is the InChIKey of ethyl 2-(cyclohexen-1-yl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate?
The InChIKey is AWOQRURTMNTPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-2-21-16(19)13-15(18-8-10-20-11-9-18)22-14(17-13)12-6-4-3-5-7-12/h6H,2-5,7-11H2,1H3.
What are the key properties of ethyl 2-(cyclohexen-1-yl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate?
ethyl 2-(cyclohexen-1-yl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate has a molecular weight of 322.43 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclohexen-1-yl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 134461514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).