2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide

C19H16N6O2S2 — CID 146269107

IUPAC2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nc2nccnc2c(=O)n1CCc1ccccc1)Nc1nccs1
InChIInChI=1S/C19H16N6O2S2/c26-14(23-18-22-9-11-28-18)12-29-19-24-16-15(20-7-8-21-16)17(27)25(19)10-6-13-4-2-1-3-5-13/h1-5,7-9,11H,6,10,12H2,(H,22,23,26)
InChIKeyANHMCIKPOJARRV-UHFFFAOYSA-N
MW424.51 g/mol
LogP2.62
Rot. Bonds7

About 2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide

2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 146269107) has the molecular formula C19H16N6O2S2 and a molecular weight of 424.51 g/mol. Its IUPAC name is 2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID146269107
Molecular FormulaC19H16N6O2S2
Molecular Weight424.51 g/mol
Exact Mass424.08
IUPAC Name2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nc2nccnc2c(=O)n1CCc1ccccc1)Nc1nccs1
InChIInChI=1S/C19H16N6O2S2/c26-14(23-18-22-9-11-28-18)12-29-19-24-16-15(20-7-8-21-16)17(27)25(19)10-6-13-4-2-1-3-5-13/h1-5,7-9,11H,6,10,12H2,(H,22,23,26)
InChIKeyANHMCIKPOJARRV-UHFFFAOYSA-N
XLogP2.62
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-(pyrazin-2-ylamino)-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide
CID 21911223
2-[6-[4-(1-methylpiperidin-4-yl)phenyl]-4-oxopyrido[3,2-d]pyrimidin-3-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 164829060
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 1164343
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 5029397
2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 9114840
3-Benzoylamino-pyridine-2-carboxylic acid thiazol-2-ylamide
CID 11045566
Tetrahydro-pyridin-3-yl]-pyrazin-2-yl}-benzamide
CID 45274293
Pitcoin3
CID 146269130
3-methyl-8-((4-methylthiazol-2-yl)thio)-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione
CID 666198
N-(4-([1,1'-biphenyl]-4-yl)thiazol-2-yl)pyrazine-2-carboxamide
CID 2094701
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 2106098
N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)pyrazine-2-carboxamide
CID 2409476

Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (CID 146269107) is 2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is O=C(CSc1nc2nccnc2c(=O)n1CCc1ccccc1)Nc1nccs1.
What is the InChIKey of 2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is ANHMCIKPOJARRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2S2/c26-14(23-18-22-9-11-28-18)12-29-19-24-16-15(20-7-8-21-16)17(27)25(19)10-6-13-4-2-1-3-5-13/h1-5,7-9,11H,6,10,12H2,(H,22,23,26).
What are the key properties of 2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 424.51 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 146269107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).