5-hydroxy-6-oxo-N-(2-phenyl-1-thiophen-3-ylethyl)-2-(1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide

C20H16N4O3S2 — CID 136659435

IUPAC5-hydroxy-6-oxo-N-(2-phenyl-1-thiophen-3-ylethyl)-2-(1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide
SMILESO=C(NC(Cc1ccccc1)c1ccsc1)c1nc(-c2nccs2)[nH]c(=O)c1O
InChIInChI=1S/C20H16N4O3S2/c25-16-15(23-17(24-19(16)27)20-21-7-9-29-20)18(26)22-14(13-6-8-28-11-13)10-12-4-2-1-3-5-12/h1-9,11,14,25H,10H2,(H,22,26)(H,23,24,27)
InChIKeyAZKGDMRKBICIEG-UHFFFAOYSA-N
MW424.51 g/mol
LogP3.37
Rot. Bonds6

About 5-hydroxy-6-oxo-N-(2-phenyl-1-thiophen-3-ylethyl)-2-(1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide

5-hydroxy-6-oxo-N-(2-phenyl-1-thiophen-3-ylethyl)-2-(1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide (PubChem CID 136659435) has the molecular formula C20H16N4O3S2 and a molecular weight of 424.51 g/mol. Its IUPAC name is 5-hydroxy-6-oxo-N-(2-phenyl-1-thiophen-3-ylethyl)-2-(1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-hydroxy-6-oxo-N-(2-phenyl-1-thiophen-3-ylethyl)-2-(1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide
PubChem CID136659435
Molecular FormulaC20H16N4O3S2
Molecular Weight424.51 g/mol
Exact Mass424.07
IUPAC Name5-hydroxy-6-oxo-N-(2-phenyl-1-thiophen-3-ylethyl)-2-(1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide
SMILESO=C(NC(Cc1ccccc1)c1ccsc1)c1nc(-c2nccs2)[nH]c(=O)c1O
InChIInChI=1S/C20H16N4O3S2/c25-16-15(23-17(24-19(16)27)20-21-7-9-29-20)18(26)22-14(13-6-8-28-11-13)10-12-4-2-1-3-5-12/h1-9,11,14,25H,10H2,(H,22,26)(H,23,24,27)
InChIKeyAZKGDMRKBICIEG-UHFFFAOYSA-N
XLogP3.37
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-oxo-N-(2-phenyl-1-thiophen-3-ylethyl)-2-(1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide?
The IUPAC name of 5-hydroxy-6-oxo-N-(2-phenyl-1-thiophen-3-ylethyl)-2-(1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide (CID 136659435) is 5-hydroxy-6-oxo-N-(2-phenyl-1-thiophen-3-ylethyl)-2-(1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 5-hydroxy-6-oxo-N-(2-phenyl-1-thiophen-3-ylethyl)-2-(1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 5-hydroxy-6-oxo-N-(2-phenyl-1-thiophen-3-ylethyl)-2-(1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide is O=C(NC(Cc1ccccc1)c1ccsc1)c1nc(-c2nccs2)[nH]c(=O)c1O.
What is the InChIKey of 5-hydroxy-6-oxo-N-(2-phenyl-1-thiophen-3-ylethyl)-2-(1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide?
The InChIKey is AZKGDMRKBICIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S2/c25-16-15(23-17(24-19(16)27)20-21-7-9-29-20)18(26)22-14(13-6-8-28-11-13)10-12-4-2-1-3-5-12/h1-9,11,14,25H,10H2,(H,22,26)(H,23,24,27).
What are the key properties of 5-hydroxy-6-oxo-N-(2-phenyl-1-thiophen-3-ylethyl)-2-(1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide?
5-hydroxy-6-oxo-N-(2-phenyl-1-thiophen-3-ylethyl)-2-(1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide has a molecular weight of 424.51 g/mol, XLogP of 3.37, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-oxo-N-(2-phenyl-1-thiophen-3-ylethyl)-2-(1,3-thiazol-2-yl)-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 136659435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).