5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-1-(furan-2-ylmethyl)pyrrole-3-carboxylic acid

C20H17N3O3S — CID 174483867

IUPAC5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-1-(furan-2-ylmethyl)pyrrole-3-carboxylic acid
SMILESCCc1cc(-c2nc(-c3cc(C(=O)O)cn3Cc3ccco3)cs2)ccn1
InChIInChI=1S/C20H17N3O3S/c1-2-15-8-13(5-6-21-15)19-22-17(12-27-19)18-9-14(20(24)25)10-23(18)11-16-4-3-7-26-16/h3-10,12H,2,11H2,1H3,(H,24,25)
InChIKeyMKCJQXNCVWBSMX-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.58
Rot. Bonds6

About 5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-1-(furan-2-ylmethyl)pyrrole-3-carboxylic acid

5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-1-(furan-2-ylmethyl)pyrrole-3-carboxylic acid (PubChem CID 174483867) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is 5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-1-(furan-2-ylmethyl)pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-1-(furan-2-ylmethyl)pyrrole-3-carboxylic acid
PubChem CID174483867
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC Name5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-1-(furan-2-ylmethyl)pyrrole-3-carboxylic acid
SMILESCCc1cc(-c2nc(-c3cc(C(=O)O)cn3Cc3ccco3)cs2)ccn1
InChIInChI=1S/C20H17N3O3S/c1-2-15-8-13(5-6-21-15)19-22-17(12-27-19)18-9-14(20(24)25)10-23(18)11-16-4-3-7-26-16/h3-10,12H,2,11H2,1H3,(H,24,25)
InChIKeyMKCJQXNCVWBSMX-UHFFFAOYSA-N
XLogP4.58
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-1-(furan-2-ylmethyl)pyrrole-3-carboxylic acid with MolForge

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Related Compounds

4-[4-[5-(Furan-2-yl)triazol-1-yl]phenyl]-2-methyl-1,3-thiazole
CID 3301879
4-(Furan-2-yl)-2-pyridin-3-yl-1,3-thiazole
CID 2347622
4-(Furan-2-yl)-2-pyridin-2-yl-1,3-thiazole
CID 2562136
2-[2-(Furan-2-yl)-6-[4-(1,3-thiazol-2-yl)phenyl]-4-pyridinyl]-1,3-thiazole
CID 145983842
1-[4-(Furan-3-yl)-1,3-thiazol-2-yl]-1-pyridin-3-ylethanol
CID 46943850
4-[3-(2-furyl)-1H-pyrazol-1-yl]-1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxylic acid
CID 56904235
US20230348450, Example 69
CID 162757028
4-[1-(Furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-pyridin-2-yl-1,3-thiazole
CID 2446360
4-[3-(2-furyl)-1H-pyrazol-1-yl]-1-[(4-methyl-1,3-thiazol-5-yl)carbonyl]piperidine-4-carboxylic acid
CID 56897994
N-(2-furylmethyl)-2-isopropyl-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 50984662
N-(furan-2-ylmethyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 60531317
N-(furan-2-ylmethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-3-ylmethanamine
CID 75501081

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-1-(furan-2-ylmethyl)pyrrole-3-carboxylic acid?
The IUPAC name of 5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-1-(furan-2-ylmethyl)pyrrole-3-carboxylic acid (CID 174483867) is 5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-1-(furan-2-ylmethyl)pyrrole-3-carboxylic acid.
What is the SMILES notation for 5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-1-(furan-2-ylmethyl)pyrrole-3-carboxylic acid?
The canonical SMILES for 5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-1-(furan-2-ylmethyl)pyrrole-3-carboxylic acid is CCc1cc(-c2nc(-c3cc(C(=O)O)cn3Cc3ccco3)cs2)ccn1.
What is the InChIKey of 5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-1-(furan-2-ylmethyl)pyrrole-3-carboxylic acid?
The InChIKey is MKCJQXNCVWBSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-2-15-8-13(5-6-21-15)19-22-17(12-27-19)18-9-14(20(24)25)10-23(18)11-16-4-3-7-26-16/h3-10,12H,2,11H2,1H3,(H,24,25).
What are the key properties of 5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-1-(furan-2-ylmethyl)pyrrole-3-carboxylic acid?
5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-1-(furan-2-ylmethyl)pyrrole-3-carboxylic acid has a molecular weight of 379.44 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-1-(furan-2-ylmethyl)pyrrole-3-carboxylic acid is sourced from PubChem (CID 174483867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).