2-[2-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid

C15H13N5O2S — CID 70768554

IUPAC2-[2-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2ccnc(NCCc3cscn3)n2)c1
InChIInChI=1S/C15H13N5O2S/c21-14(22)10-1-4-16-13(7-10)12-3-6-18-15(20-12)17-5-2-11-8-23-9-19-11/h1,3-4,6-9H,2,5H2,(H,21,22)(H,17,18,20)
InChIKeyPZDVPAQBCKORIP-UHFFFAOYSA-N
MW327.37 g/mol
LogP2.35
Rot. Bonds6

About 2-[2-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid

2-[2-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid (PubChem CID 70768554) has the molecular formula C15H13N5O2S and a molecular weight of 327.37 g/mol. Its IUPAC name is 2-[2-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid
PubChem CID70768554
Molecular FormulaC15H13N5O2S
Molecular Weight327.37 g/mol
Exact Mass327.08
IUPAC Name2-[2-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2ccnc(NCCc3cscn3)n2)c1
InChIInChI=1S/C15H13N5O2S/c21-14(22)10-1-4-16-13(7-10)12-3-6-18-15(20-12)17-5-2-11-8-23-9-19-11/h1,3-4,6-9H,2,5H2,(H,21,22)(H,17,18,20)
InChIKeyPZDVPAQBCKORIP-UHFFFAOYSA-N
XLogP2.35
TPSA100.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[2-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid (CID 70768554) is 2-[2-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2ccnc(NCCc3cscn3)n2)c1.
What is the InChIKey of 2-[2-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid?
The InChIKey is PZDVPAQBCKORIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S/c21-14(22)10-1-4-16-13(7-10)12-3-6-18-15(20-12)17-5-2-11-8-23-9-19-11/h1,3-4,6-9H,2,5H2,(H,21,22)(H,17,18,20).
What are the key properties of 2-[2-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid?
2-[2-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid has a molecular weight of 327.37 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 70768554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).