5-hydroxy-6-oxo-2-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrimidine-4-carboxamide

C14H11N3O3S2 — CID 135971583

IUPAC5-hydroxy-6-oxo-2-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrimidine-4-carboxamide
SMILESO=C(NCc1cccs1)c1nc(-c2cccs2)[nH]c(=O)c1O
InChIInChI=1S/C14H11N3O3S2/c18-11-10(13(19)15-7-8-3-1-5-21-8)16-12(17-14(11)20)9-4-2-6-22-9/h1-6,18H,7H2,(H,15,19)(H,16,17,20)
InChIKeyIQVWIKWYURRSAA-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.20
Rot. Bonds4

About 5-hydroxy-6-oxo-2-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrimidine-4-carboxamide

5-hydroxy-6-oxo-2-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrimidine-4-carboxamide (PubChem CID 135971583) has the molecular formula C14H11N3O3S2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 5-hydroxy-6-oxo-2-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-hydroxy-6-oxo-2-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrimidine-4-carboxamide
PubChem CID135971583
Molecular FormulaC14H11N3O3S2
Molecular Weight333.39 g/mol
Exact Mass333.02
IUPAC Name5-hydroxy-6-oxo-2-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrimidine-4-carboxamide
SMILESO=C(NCc1cccs1)c1nc(-c2cccs2)[nH]c(=O)c1O
InChIInChI=1S/C14H11N3O3S2/c18-11-10(13(19)15-7-8-3-1-5-21-8)16-12(17-14(11)20)9-4-2-6-22-9/h1-6,18H,7H2,(H,15,19)(H,16,17,20)
InChIKeyIQVWIKWYURRSAA-UHFFFAOYSA-N
XLogP2.20
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-oxo-2-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrimidine-4-carboxamide?
The IUPAC name of 5-hydroxy-6-oxo-2-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrimidine-4-carboxamide (CID 135971583) is 5-hydroxy-6-oxo-2-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 5-hydroxy-6-oxo-2-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 5-hydroxy-6-oxo-2-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrimidine-4-carboxamide is O=C(NCc1cccs1)c1nc(-c2cccs2)[nH]c(=O)c1O.
What is the InChIKey of 5-hydroxy-6-oxo-2-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrimidine-4-carboxamide?
The InChIKey is IQVWIKWYURRSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S2/c18-11-10(13(19)15-7-8-3-1-5-21-8)16-12(17-14(11)20)9-4-2-6-22-9/h1-6,18H,7H2,(H,15,19)(H,16,17,20).
What are the key properties of 5-hydroxy-6-oxo-2-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrimidine-4-carboxamide?
5-hydroxy-6-oxo-2-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrimidine-4-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-oxo-2-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 135971583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).