ethyl 4-carbamoyl-5-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-2-methylfuran-3-carboxylate

C16H18N4O5S — CID 108810090

IUPACethyl 4-carbamoyl-5-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-2-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc(NC(=O)CC2=CSC3=NCCN23)c1C(N)=O
InChIInChI=1S/C16H18N4O5S/c1-3-24-15(23)11-8(2)25-14(12(11)13(17)22)19-10(21)6-9-7-26-16-18-4-5-20(9)16/h7H,3-6H2,1-2H3,(H2,17,22)(H,19,21)
InChIKeyLLQDFWNLYUOVSZ-UHFFFAOYSA-N
MW378.41 g/mol
LogP1.45
Rot. Bonds6

About ethyl 4-carbamoyl-5-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-2-methylfuran-3-carboxylate

ethyl 4-carbamoyl-5-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-2-methylfuran-3-carboxylate (PubChem CID 108810090) has the molecular formula C16H18N4O5S and a molecular weight of 378.41 g/mol. Its IUPAC name is ethyl 4-carbamoyl-5-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-carbamoyl-5-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-2-methylfuran-3-carboxylate
PubChem CID108810090
Molecular FormulaC16H18N4O5S
Molecular Weight378.41 g/mol
Exact Mass378.10
IUPAC Nameethyl 4-carbamoyl-5-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-2-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc(NC(=O)CC2=CSC3=NCCN23)c1C(N)=O
InChIInChI=1S/C16H18N4O5S/c1-3-24-15(23)11-8(2)25-14(12(11)13(17)22)19-10(21)6-9-7-26-16-18-4-5-20(9)16/h7H,3-6H2,1-2H3,(H2,17,22)(H,19,21)
InChIKeyLLQDFWNLYUOVSZ-UHFFFAOYSA-N
XLogP1.45
TPSA127.23 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-carbamoyl-5-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-2-methylfuran-3-carboxylate?
The IUPAC name of ethyl 4-carbamoyl-5-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-2-methylfuran-3-carboxylate (CID 108810090) is ethyl 4-carbamoyl-5-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-2-methylfuran-3-carboxylate.
What is the SMILES notation for ethyl 4-carbamoyl-5-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-2-methylfuran-3-carboxylate?
The canonical SMILES for ethyl 4-carbamoyl-5-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-2-methylfuran-3-carboxylate is CCOC(=O)c1c(C)oc(NC(=O)CC2=CSC3=NCCN23)c1C(N)=O.
What is the InChIKey of ethyl 4-carbamoyl-5-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-2-methylfuran-3-carboxylate?
The InChIKey is LLQDFWNLYUOVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O5S/c1-3-24-15(23)11-8(2)25-14(12(11)13(17)22)19-10(21)6-9-7-26-16-18-4-5-20(9)16/h7H,3-6H2,1-2H3,(H2,17,22)(H,19,21).
What are the key properties of ethyl 4-carbamoyl-5-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-2-methylfuran-3-carboxylate?
ethyl 4-carbamoyl-5-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-2-methylfuran-3-carboxylate has a molecular weight of 378.41 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-carbamoyl-5-[[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 108810090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).