4-(4-methyl-2-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylic acid

C14H11N5O2S — CID 141362742

IUPAC4-(4-methyl-2-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylic acid
SMILESCc1ccnc(-c2nc(Nc3ncccn3)sc2C(=O)O)c1
InChIInChI=1S/C14H11N5O2S/c1-8-3-6-15-9(7-8)10-11(12(20)21)22-14(18-10)19-13-16-4-2-5-17-13/h2-7H,1H3,(H,20,21)(H,16,17,18,19)
InChIKeyGEHIHRUZZRYXMC-UHFFFAOYSA-N
MW313.34 g/mol
LogP2.75
Rot. Bonds4

About 4-(4-methyl-2-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylic acid

4-(4-methyl-2-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylic acid (PubChem CID 141362742) has the molecular formula C14H11N5O2S and a molecular weight of 313.34 g/mol. Its IUPAC name is 4-(4-methyl-2-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(4-methyl-2-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylic acid
PubChem CID141362742
Molecular FormulaC14H11N5O2S
Molecular Weight313.34 g/mol
Exact Mass313.06
IUPAC Name4-(4-methyl-2-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylic acid
SMILESCc1ccnc(-c2nc(Nc3ncccn3)sc2C(=O)O)c1
InChIInChI=1S/C14H11N5O2S/c1-8-3-6-15-9(7-8)10-11(12(20)21)22-14(18-10)19-13-16-4-2-5-17-13/h2-7H,1H3,(H,20,21)(H,16,17,18,19)
InChIKeyGEHIHRUZZRYXMC-UHFFFAOYSA-N
XLogP2.75
TPSA100.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(4-methyl-2-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylic acid (CID 141362742) is 4-(4-methyl-2-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(4-methyl-2-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(4-methyl-2-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylic acid is Cc1ccnc(-c2nc(Nc3ncccn3)sc2C(=O)O)c1.
What is the InChIKey of 4-(4-methyl-2-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylic acid?
The InChIKey is GEHIHRUZZRYXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O2S/c1-8-3-6-15-9(7-8)10-11(12(20)21)22-14(18-10)19-13-16-4-2-5-17-13/h2-7H,1H3,(H,20,21)(H,16,17,18,19).
What are the key properties of 4-(4-methyl-2-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylic acid?
4-(4-methyl-2-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylic acid has a molecular weight of 313.34 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2-pyridinyl)-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 141362742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).