(5S)-2-pyrimidin-5-yl-4,5-dihydro-1,3-thiazole-5-carboxylic acid

C8H7N3O2S — CID 67281220

IUPAC(5S)-2-pyrimidin-5-yl-4,5-dihydro-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)[C@@H]1CN=C(c2cncnc2)S1
InChIInChI=1S/C8H7N3O2S/c12-8(13)6-3-11-7(14-6)5-1-9-4-10-2-5/h1-2,4,6H,3H2,(H,12,13)/t6-/m0/s1
InChIKeyCALBJHNFWDXGER-LURJTMIESA-N
MW209.23 g/mol
LogP0.42
Rot. Bonds2

About (5S)-2-pyrimidin-5-yl-4,5-dihydro-1,3-thiazole-5-carboxylic acid

(5S)-2-pyrimidin-5-yl-4,5-dihydro-1,3-thiazole-5-carboxylic acid (PubChem CID 67281220) has the molecular formula C8H7N3O2S and a molecular weight of 209.23 g/mol. Its IUPAC name is (5S)-2-pyrimidin-5-yl-4,5-dihydro-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name(5S)-2-pyrimidin-5-yl-4,5-dihydro-1,3-thiazole-5-carboxylic acid
PubChem CID67281220
Molecular FormulaC8H7N3O2S
Molecular Weight209.23 g/mol
Exact Mass209.03
IUPAC Name(5S)-2-pyrimidin-5-yl-4,5-dihydro-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)[C@@H]1CN=C(c2cncnc2)S1
InChIInChI=1S/C8H7N3O2S/c12-8(13)6-3-11-7(14-6)5-1-9-4-10-2-5/h1-2,4,6H,3H2,(H,12,13)/t6-/m0/s1
InChIKeyCALBJHNFWDXGER-LURJTMIESA-N
XLogP0.42
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-pyrimidin-5-yl-4,5-dihydro-1,3-thiazole-5-carboxylic acid?
The IUPAC name of (5S)-2-pyrimidin-5-yl-4,5-dihydro-1,3-thiazole-5-carboxylic acid (CID 67281220) is (5S)-2-pyrimidin-5-yl-4,5-dihydro-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for (5S)-2-pyrimidin-5-yl-4,5-dihydro-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for (5S)-2-pyrimidin-5-yl-4,5-dihydro-1,3-thiazole-5-carboxylic acid is O=C(O)[C@@H]1CN=C(c2cncnc2)S1.
What is the InChIKey of (5S)-2-pyrimidin-5-yl-4,5-dihydro-1,3-thiazole-5-carboxylic acid?
The InChIKey is CALBJHNFWDXGER-LURJTMIESA-N. The full InChI is InChI=1S/C8H7N3O2S/c12-8(13)6-3-11-7(14-6)5-1-9-4-10-2-5/h1-2,4,6H,3H2,(H,12,13)/t6-/m0/s1.
What are the key properties of (5S)-2-pyrimidin-5-yl-4,5-dihydro-1,3-thiazole-5-carboxylic acid?
(5S)-2-pyrimidin-5-yl-4,5-dihydro-1,3-thiazole-5-carboxylic acid has a molecular weight of 209.23 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-pyrimidin-5-yl-4,5-dihydro-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 67281220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).