2-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid

C15H16N6O2S — CID 59145173

IUPAC2-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid
SMILESCc1ncc(-c2ccnc(Nc3ncc(C(=O)O)s3)n2)n1C(C)C
InChIInChI=1S/C15H16N6O2S/c1-8(2)21-9(3)17-6-11(21)10-4-5-16-14(19-10)20-15-18-7-12(24-15)13(22)23/h4-8H,1-3H3,(H,22,23)(H,16,18,19,20)
InChIKeyGEBYCJSDPVFIBB-UHFFFAOYSA-N
MW344.40 g/mol
LogP3.13
Rot. Bonds5

About 2-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid

2-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 59145173) has the molecular formula C15H16N6O2S and a molecular weight of 344.40 g/mol. Its IUPAC name is 2-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid
PubChem CID59145173
Molecular FormulaC15H16N6O2S
Molecular Weight344.40 g/mol
Exact Mass344.11
IUPAC Name2-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid
SMILESCc1ncc(-c2ccnc(Nc3ncc(C(=O)O)s3)n2)n1C(C)C
InChIInChI=1S/C15H16N6O2S/c1-8(2)21-9(3)17-6-11(21)10-4-5-16-14(19-10)20-15-18-7-12(24-15)13(22)23/h4-8H,1-3H3,(H,22,23)(H,16,18,19,20)
InChIKeyGEBYCJSDPVFIBB-UHFFFAOYSA-N
XLogP3.13
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid (CID 59145173) is 2-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid is Cc1ncc(-c2ccnc(Nc3ncc(C(=O)O)s3)n2)n1C(C)C.
What is the InChIKey of 2-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is GEBYCJSDPVFIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2S/c1-8(2)21-9(3)17-6-11(21)10-4-5-16-14(19-10)20-15-18-7-12(24-15)13(22)23/h4-8H,1-3H3,(H,22,23)(H,16,18,19,20).
What are the key properties of 2-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid?
2-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 344.40 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 59145173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).