(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

C19H16N4O3S2 — CID 7429859

IUPAC(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
SMILESCC(C)c1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccnc2)s1
InChIInChI=1S/C19H16N4O3S2/c1-10(2)17-21-22-19(28-17)23-14(11-5-3-7-20-9-11)13(16(25)18(23)26)15(24)12-6-4-8-27-12/h3-10,14,25H,1-2H3/t14-/m0/s1
InChIKeyLZJUAWCMEZMDHC-AWEZNQCLSA-N
MW412.50 g/mol
LogP3.90
Rot. Bonds5

About (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

(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 (PubChem CID 7429859) has the molecular formula C19H16N4O3S2 and a molecular weight of 412.50 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID7429859
Molecular FormulaC19H16N4O3S2
Molecular Weight412.50 g/mol
Exact Mass412.07
IUPAC Name(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
SMILESCC(C)c1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccnc2)s1
InChIInChI=1S/C19H16N4O3S2/c1-10(2)17-21-22-19(28-17)23-14(11-5-3-7-20-9-11)13(16(25)18(23)26)15(24)12-6-4-8-27-12/h3-10,14,25H,1-2H3/t14-/m0/s1
InChIKeyLZJUAWCMEZMDHC-AWEZNQCLSA-N
XLogP3.90
TPSA96.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(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
(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
1-[4-(dimethylamino)phenyl]-4-hydroxy-2-pyridin-3-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108590801
1-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-2-pyridin-3-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 18816212
(2S)-4-hydroxy-2-(4-methoxyphenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 1050262
acetic acid;4-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(3-phenoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 52985872
4-hydroxy-1-(2-piperidin-1-ylethyl)-2-pyridin-3-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 75793671
(2R)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-pyridin-3-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 1155621
4-hydroxy-2-(4-methylphenyl)-1-(1,3,4-thiadiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 2891577
(2S)-4-hydroxy-2-(3-hydroxyphenyl)-1-(1,3-thiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 97037363
(2S)-4-hydroxy-1-(2-morpholin-4-ium-4-ylethyl)-2-pyridin-3-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 6971500
(2S)-2-(3-bromophenyl)-4-hydroxy-1-(1,3-thiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 97037371

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)c1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccnc2)s1.
What is the InChIKey of (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?
The InChIKey is LZJUAWCMEZMDHC-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H16N4O3S2/c1-10(2)17-21-22-19(28-17)23-14(11-5-3-7-20-9-11)13(16(25)18(23)26)15(24)12-6-4-8-27-12/h3-10,14,25H,1-2H3/t14-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 412.50 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 7429859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).