2-[4-oxo-1-(1,3-thiazol-2-ylmethyl)pyrimidin-2-yl]sulfanylacetic acid

C10H9N3O3S2 — CID 62402575

IUPAC2-[4-oxo-1-(1,3-thiazol-2-ylmethyl)pyrimidin-2-yl]sulfanylacetic acid
SMILESO=C(O)CSc1nc(=O)ccn1Cc1nccs1
InChIInChI=1S/C10H9N3O3S2/c14-7-1-3-13(5-8-11-2-4-17-8)10(12-7)18-6-9(15)16/h1-4H,5-6H2,(H,15,16)
InChIKeyOCLOICRIJXXMCU-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.92
Rot. Bonds5

About 2-[4-oxo-1-(1,3-thiazol-2-ylmethyl)pyrimidin-2-yl]sulfanylacetic acid

2-[4-oxo-1-(1,3-thiazol-2-ylmethyl)pyrimidin-2-yl]sulfanylacetic acid (PubChem CID 62402575) has the molecular formula C10H9N3O3S2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[4-oxo-1-(1,3-thiazol-2-ylmethyl)pyrimidin-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[4-oxo-1-(1,3-thiazol-2-ylmethyl)pyrimidin-2-yl]sulfanylacetic acid
PubChem CID62402575
Molecular FormulaC10H9N3O3S2
Molecular Weight283.33 g/mol
Exact Mass283.01
IUPAC Name2-[4-oxo-1-(1,3-thiazol-2-ylmethyl)pyrimidin-2-yl]sulfanylacetic acid
SMILESO=C(O)CSc1nc(=O)ccn1Cc1nccs1
InChIInChI=1S/C10H9N3O3S2/c14-7-1-3-13(5-8-11-2-4-17-8)10(12-7)18-6-9(15)16/h1-4H,5-6H2,(H,15,16)
InChIKeyOCLOICRIJXXMCU-UHFFFAOYSA-N
XLogP0.92
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-[(4-methyl-3-pyridinyl)methyl]-4-oxopyrimidin-2-yl]sulfanylacetic acid
CID 114957567
2-[1-[(4-methylcyclohexyl)methyl]-4-oxopyrimidin-2-yl]sulfanylacetic acid
CID 63243473
2-[1-(3-amino-2,2-dimethyl-3-oxopropyl)-4-oxopyrimidin-2-yl]sulfanylacetic acid
CID 114167625
2-[1-[3-(dimethylamino)propyl]-4-oxopyrimidin-2-yl]sulfanylacetic acid
CID 62402584
2-[1-(4-fluorophenyl)-4-oxopyrimidin-2-yl]sulfanylacetic acid
CID 62404177
2-[1-[3-(dimethylamino)-2,2-dimethylpropyl]-4-oxopyrimidin-2-yl]sulfanylacetic acid
CID 62402942
2-[4-oxo-1-(1-thiophen-2-ylpropan-2-yl)pyrimidin-2-yl]sulfanylacetic acid
CID 63292054
2-[4-oxo-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-2-yl]sulfanylacetic acid
CID 62844752
2-[1-[2-[cyclopentyl(methyl)amino]ethyl]-4-oxopyrimidin-2-yl]sulfanylacetic acid
CID 63315961
2-[1-[3-(butan-2-ylamino)-3-oxopropyl]-4-oxopyrimidin-2-yl]sulfanylacetic acid
CID 62403103
2-[1-(2,5-difluorophenyl)-4-oxopyrimidin-2-yl]sulfanylacetic acid
CID 62404159
2-[1-[2-(1,3-thiazol-2-yl)ethyl]tetrazol-5-yl]sulfanylacetic acid
CID 55174450

Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-1-(1,3-thiazol-2-ylmethyl)pyrimidin-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[4-oxo-1-(1,3-thiazol-2-ylmethyl)pyrimidin-2-yl]sulfanylacetic acid (CID 62402575) is 2-[4-oxo-1-(1,3-thiazol-2-ylmethyl)pyrimidin-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[4-oxo-1-(1,3-thiazol-2-ylmethyl)pyrimidin-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[4-oxo-1-(1,3-thiazol-2-ylmethyl)pyrimidin-2-yl]sulfanylacetic acid is O=C(O)CSc1nc(=O)ccn1Cc1nccs1.
What is the InChIKey of 2-[4-oxo-1-(1,3-thiazol-2-ylmethyl)pyrimidin-2-yl]sulfanylacetic acid?
The InChIKey is OCLOICRIJXXMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3S2/c14-7-1-3-13(5-8-11-2-4-17-8)10(12-7)18-6-9(15)16/h1-4H,5-6H2,(H,15,16).
What are the key properties of 2-[4-oxo-1-(1,3-thiazol-2-ylmethyl)pyrimidin-2-yl]sulfanylacetic acid?
2-[4-oxo-1-(1,3-thiazol-2-ylmethyl)pyrimidin-2-yl]sulfanylacetic acid has a molecular weight of 283.33 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-1-(1,3-thiazol-2-ylmethyl)pyrimidin-2-yl]sulfanylacetic acid is sourced from PubChem (CID 62402575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).