4-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]-1H-pyrrole-2-carboxylic acid

C19H15N5O3S — CID 162757155

IUPAC4-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]-1H-pyrrole-2-carboxylic acid
SMILESCc1nc(COc2ncccn2)sc1-c1cccc(-c2c[nH]c(C(=O)O)c2)n1
InChIInChI=1S/C19H15N5O3S/c1-11-17(28-16(23-11)10-27-19-20-6-3-7-21-19)14-5-2-4-13(24-14)12-8-15(18(25)26)22-9-12/h2-9,22H,10H2,1H3,(H,25,26)
InChIKeyVAZCGJUJZKJYKT-UHFFFAOYSA-N
MW393.43 g/mol
LogP3.58
Rot. Bonds6

About 4-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]-1H-pyrrole-2-carboxylic acid

4-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 162757155) has the molecular formula C19H15N5O3S and a molecular weight of 393.43 g/mol. Its IUPAC name is 4-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]-1H-pyrrole-2-carboxylic acid
PubChem CID162757155
Molecular FormulaC19H15N5O3S
Molecular Weight393.43 g/mol
Exact Mass393.09
IUPAC Name4-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]-1H-pyrrole-2-carboxylic acid
SMILESCc1nc(COc2ncccn2)sc1-c1cccc(-c2c[nH]c(C(=O)O)c2)n1
InChIInChI=1S/C19H15N5O3S/c1-11-17(28-16(23-11)10-27-19-20-6-3-7-21-19)14-5-2-4-13(24-14)12-8-15(18(25)26)22-9-12/h2-9,22H,10H2,1H3,(H,25,26)
InChIKeyVAZCGJUJZKJYKT-UHFFFAOYSA-N
XLogP3.58
TPSA113.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]-1H-pyrrole-2-carboxylic acid (CID 162757155) is 4-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]-1H-pyrrole-2-carboxylic acid is Cc1nc(COc2ncccn2)sc1-c1cccc(-c2c[nH]c(C(=O)O)c2)n1.
What is the InChIKey of 4-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is VAZCGJUJZKJYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3S/c1-11-17(28-16(23-11)10-27-19-20-6-3-7-21-19)14-5-2-4-13(24-14)12-8-15(18(25)26)22-9-12/h2-9,22H,10H2,1H3,(H,25,26).
What are the key properties of 4-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]-1H-pyrrole-2-carboxylic acid?
4-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 393.43 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 162757155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).