4-pyrazin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylic acid

C12H8N6O2S — CID 134150042

IUPAC4-pyrazin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(Nc2ncccn2)nc1-c1cnccn1
InChIInChI=1S/C12H8N6O2S/c19-10(20)9-8(7-6-13-4-5-14-7)17-12(21-9)18-11-15-2-1-3-16-11/h1-6H,(H,19,20)(H,15,16,17,18)
InChIKeyRIPPFEONPUNPOK-UHFFFAOYSA-N
MW300.30 g/mol
LogP1.83
Rot. Bonds4

About 4-pyrazin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylic acid

4-pyrazin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylic acid (PubChem CID 134150042) has the molecular formula C12H8N6O2S and a molecular weight of 300.30 g/mol. Its IUPAC name is 4-pyrazin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-pyrazin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylic acid
PubChem CID134150042
Molecular FormulaC12H8N6O2S
Molecular Weight300.30 g/mol
Exact Mass300.04
IUPAC Name4-pyrazin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(Nc2ncccn2)nc1-c1cnccn1
InChIInChI=1S/C12H8N6O2S/c19-10(20)9-8(7-6-13-4-5-14-7)17-12(21-9)18-11-15-2-1-3-16-11/h1-6H,(H,19,20)(H,15,16,17,18)
InChIKeyRIPPFEONPUNPOK-UHFFFAOYSA-N
XLogP1.83
TPSA113.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

Ethyl 4-(pyridin-2-yl)-2-(pyrimidin-2-ylamino)thiazole-5-carboxylate
CID 71549255
Propan-2-yl 2-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxymethyl-pyrimidin-2-ylamino]-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate
CID 134131628
Propan-2-yl 4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate
CID 134141484
Ethyl 4-pyrazin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate
CID 134143796
Propan-2-yl 2-[propan-2-yloxycarbonyloxymethyl(pyrimidin-2-yl)amino]-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate
CID 134143887
Propan-2-yl 4-pyrazin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate
CID 134156427
Propan-2-yl 4-pyrimidin-4-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate
CID 134155117
Ethyl 4-pyrimidin-4-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylate
CID 134156838
4-(Pyridin-2-yl)-2-(pyrimidin-2-ylamino)thiazole-5-carboxylic acid
CID 86732530
Propan-2-yl 2-[2-methoxyethoxymethyl(pyrimidin-2-yl)amino]-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate
CID 134151504
4-Methyl-2-(pyridin-3-ylamino)thiazole-5-carboxylic acid
CID 71829438
4-Methyl-2-[[4-[methyl(pyridin-3-ylmethyl)amino]-6-piperazin-1-ylpyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid
CID 21991881

Frequently Asked Questions

What is the IUPAC name of 4-pyrazin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-pyrazin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylic acid (CID 134150042) is 4-pyrazin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-pyrazin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-pyrazin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(Nc2ncccn2)nc1-c1cnccn1.
What is the InChIKey of 4-pyrazin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylic acid?
The InChIKey is RIPPFEONPUNPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N6O2S/c19-10(20)9-8(7-6-13-4-5-14-7)17-12(21-9)18-11-15-2-1-3-16-11/h1-6H,(H,19,20)(H,15,16,17,18).
What are the key properties of 4-pyrazin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylic acid?
4-pyrazin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylic acid has a molecular weight of 300.30 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 134150042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).