ethyl 5-acetyl-2-[cyclopentyl(ethyl)amino]-1,3-thiazole-4-carboxylate

C15H22N2O3S — CID 107377280

IUPACethyl 5-acetyl-2-[cyclopentyl(ethyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(N(CC)C2CCCC2)sc1C(C)=O
InChIInChI=1S/C15H22N2O3S/c1-4-17(11-8-6-7-9-11)15-16-12(14(19)20-5-2)13(21-15)10(3)18/h11H,4-9H2,1-3H3
InChIKeyCMAMMRKDRDRQAK-UHFFFAOYSA-N
MW310.42 g/mol
LogP3.29
Rot. Bonds6

About ethyl 5-acetyl-2-[cyclopentyl(ethyl)amino]-1,3-thiazole-4-carboxylate

ethyl 5-acetyl-2-[cyclopentyl(ethyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 107377280) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is ethyl 5-acetyl-2-[cyclopentyl(ethyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-acetyl-2-[cyclopentyl(ethyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID107377280
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Nameethyl 5-acetyl-2-[cyclopentyl(ethyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(N(CC)C2CCCC2)sc1C(C)=O
InChIInChI=1S/C15H22N2O3S/c1-4-17(11-8-6-7-9-11)15-16-12(14(19)20-5-2)13(21-15)10(3)18/h11H,4-9H2,1-3H3
InChIKeyCMAMMRKDRDRQAK-UHFFFAOYSA-N
XLogP3.29
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-acetyl-2-[cyclopentyl(ethyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-acetyl-2-[cyclopentyl(ethyl)amino]-1,3-thiazole-4-carboxylate (CID 107377280) is ethyl 5-acetyl-2-[cyclopentyl(ethyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-acetyl-2-[cyclopentyl(ethyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-acetyl-2-[cyclopentyl(ethyl)amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(N(CC)C2CCCC2)sc1C(C)=O.
What is the InChIKey of ethyl 5-acetyl-2-[cyclopentyl(ethyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is CMAMMRKDRDRQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-4-17(11-8-6-7-9-11)15-16-12(14(19)20-5-2)13(21-15)10(3)18/h11H,4-9H2,1-3H3.
What are the key properties of ethyl 5-acetyl-2-[cyclopentyl(ethyl)amino]-1,3-thiazole-4-carboxylate?
ethyl 5-acetyl-2-[cyclopentyl(ethyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 310.42 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-acetyl-2-[cyclopentyl(ethyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 107377280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).