1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(furan-2-yl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

C18H14N2O4S2 — CID 2926519

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(furan-2-yl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCc1nc(N2C(=O)C(O)=C(C(=O)c3cccs3)C2c2ccco2)sc1C
InChIInChI=1S/C18H14N2O4S2/c1-9-10(2)26-18(19-9)20-14(11-5-3-7-24-11)13(16(22)17(20)23)15(21)12-6-4-8-25-12/h3-8,14,22H,1-2H3
InChIKeySZTDNHPONXAGOX-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.20
Rot. Bonds4

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(furan-2-yl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(furan-2-yl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 2926519) has the molecular formula C18H14N2O4S2 and a molecular weight of 386.45 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(furan-2-yl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(furan-2-yl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
PubChem CID2926519
Molecular FormulaC18H14N2O4S2
Molecular Weight386.45 g/mol
Exact Mass386.04
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(furan-2-yl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCc1nc(N2C(=O)C(O)=C(C(=O)c3cccs3)C2c2ccco2)sc1C
InChIInChI=1S/C18H14N2O4S2/c1-9-10(2)26-18(19-9)20-14(11-5-3-7-24-11)13(16(22)17(20)23)15(21)12-6-4-8-25-12/h3-8,14,22H,1-2H3
InChIKeySZTDNHPONXAGOX-UHFFFAOYSA-N
XLogP4.20
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(furan-2-yl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(furan-2-yl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 2926519) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(furan-2-yl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(furan-2-yl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(furan-2-yl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is Cc1nc(N2C(=O)C(O)=C(C(=O)c3cccs3)C2c2ccco2)sc1C.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(furan-2-yl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is SZTDNHPONXAGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4S2/c1-9-10(2)26-18(19-9)20-14(11-5-3-7-24-11)13(16(22)17(20)23)15(21)12-6-4-8-25-12/h3-8,14,22H,1-2H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(furan-2-yl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(furan-2-yl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 386.45 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(furan-2-yl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 2926519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).