ethyl 2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate

C18H17N3O3S2 — CID 7910495

IUPACethyl 2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N2N=C(c3cccs3)C[C@@H]2c2ccco2)nc1C
InChIInChI=1S/C18H17N3O3S2/c1-3-23-17(22)16-11(2)19-18(26-16)21-13(14-6-4-8-24-14)10-12(20-21)15-7-5-9-25-15/h4-9,13H,3,10H2,1-2H3/t13-/m1/s1
InChIKeyIOGFKAGKXYRRPW-CYBMUJFWSA-N
MW387.49 g/mol
LogP4.64
Rot. Bonds5

About ethyl 2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 7910495) has the molecular formula C18H17N3O3S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is ethyl 2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID7910495
Molecular FormulaC18H17N3O3S2
Molecular Weight387.49 g/mol
Exact Mass387.07
IUPAC Nameethyl 2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N2N=C(c3cccs3)C[C@@H]2c2ccco2)nc1C
InChIInChI=1S/C18H17N3O3S2/c1-3-23-17(22)16-11(2)19-18(26-16)21-13(14-6-4-8-24-14)10-12(20-21)15-7-5-9-25-15/h4-9,13H,3,10H2,1-2H3/t13-/m1/s1
InChIKeyIOGFKAGKXYRRPW-CYBMUJFWSA-N
XLogP4.64
TPSA67.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

1-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 5079888
2-chloro-1-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 7128484
[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 16524466
ethyl 2-[[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-(2-methoxyethyl)amino]acetate
CID 47825233
3-[2-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione
CID 40803862
[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-(3-methoxyphenyl)methanone
CID 7186195
1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(2-methylpropylsulfanyl)ethanone
CID 55315409
(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methanone
CID 11841098
[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2,4-dimethoxybenzoate
CID 16523440
[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-(3,5-dimethylpyrazol-1-yl)acetate
CID 55449611
1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(4-hydroxyphenyl)sulfanylethanone
CID 167748812
1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 16525280

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate (CID 7910495) is ethyl 2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(N2N=C(c3cccs3)C[C@@H]2c2ccco2)nc1C.
What is the InChIKey of ethyl 2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is IOGFKAGKXYRRPW-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H17N3O3S2/c1-3-23-17(22)16-11(2)19-18(26-16)21-13(14-6-4-8-24-14)10-12(20-21)15-7-5-9-25-15/h4-9,13H,3,10H2,1-2H3/t13-/m1/s1.
What are the key properties of ethyl 2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 387.49 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 7910495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).