(2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-yl-2H-pyrrol-5-one

C20H18N4O4S — CID 1083402

IUPAC(2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESCc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C(C)C)s3)[C@@H]2c2cccnc2)o1
InChIInChI=1S/C20H18N4O4S/c1-10(2)18-22-23-20(29-18)24-15(12-5-4-8-21-9-12)14(17(26)19(24)27)16(25)13-7-6-11(3)28-13/h4-10,15,26H,1-3H3/t15-/m1/s1
InChIKeyGUZBBMJMFZROAN-OAHLLOKOSA-N
MW410.46 g/mol
LogP3.74
Rot. Bonds5

About (2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-yl-2H-pyrrol-5-one

(2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-yl-2H-pyrrol-5-one (PubChem CID 1083402) has the molecular formula C20H18N4O4S and a molecular weight of 410.46 g/mol. Its IUPAC name is (2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-yl-2H-pyrrol-5-one
PubChem CID1083402
Molecular FormulaC20H18N4O4S
Molecular Weight410.46 g/mol
Exact Mass410.10
IUPAC Name(2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-yl-2H-pyrrol-5-one
SMILESCc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C(C)C)s3)[C@@H]2c2cccnc2)o1
InChIInChI=1S/C20H18N4O4S/c1-10(2)18-22-23-20(29-18)24-15(12-5-4-8-21-9-12)14(17(26)19(24)27)16(25)13-7-6-11(3)28-13/h4-10,15,26H,1-3H3/t15-/m1/s1
InChIKeyGUZBBMJMFZROAN-OAHLLOKOSA-N
XLogP3.74
TPSA109.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-4-hydroxy-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 7429859
4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-ylphenyl)-1-(1,3,4-thiadiazol-2-yl)-2H-pyrrol-5-one
CID 146023269
(2R)-4-hydroxy-2-phenyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 1307566
4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-4-yl-2H-pyrrol-5-one
CID 4979175
(2R)-2-(4-chlorophenyl)-1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 34821329
4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-methylphenyl)-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2H-pyrrol-5-one
CID 18814012
(2R)-1-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 41029958
1-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-2-(4-hydroxyphenyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 18815373
(2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-propan-2-yloxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 9498636
3-(furan-2-carbonyl)-4-hydroxy-1-(2-methylphenyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108630457
3-(1-benzofuran-2-carbonyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 3338609
1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(4-methylphenyl)-2H-pyrrol-5-one
CID 18814916

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-yl-2H-pyrrol-5-one?
The IUPAC name of (2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-yl-2H-pyrrol-5-one (CID 1083402) is (2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-yl-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-yl-2H-pyrrol-5-one?
The canonical SMILES for (2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-yl-2H-pyrrol-5-one is Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C(C)C)s3)[C@@H]2c2cccnc2)o1.
What is the InChIKey of (2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-yl-2H-pyrrol-5-one?
The InChIKey is GUZBBMJMFZROAN-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H18N4O4S/c1-10(2)18-22-23-20(29-18)24-15(12-5-4-8-21-9-12)14(17(26)19(24)27)16(25)13-7-6-11(3)28-13/h4-10,15,26H,1-3H3/t15-/m1/s1.
What are the key properties of (2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-yl-2H-pyrrol-5-one?
(2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-yl-2H-pyrrol-5-one has a molecular weight of 410.46 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-pyridin-3-yl-2H-pyrrol-5-one is sourced from PubChem (CID 1083402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).