4-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazol-2-amine

C13H11N5S — CID 134145743

IUPAC4-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazol-2-amine
SMILESc1ccc(-c2csc(NCc3ncccn3)n2)nc1
InChIInChI=1S/C13H11N5S/c1-2-5-14-10(4-1)11-9-19-13(18-11)17-8-12-15-6-3-7-16-12/h1-7,9H,8H2,(H,17,18)
InChIKeyWXYJDBQTFIITHP-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.61
Rot. Bonds4

About 4-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazol-2-amine

4-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 134145743) has the molecular formula C13H11N5S and a molecular weight of 269.33 g/mol. Its IUPAC name is 4-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazol-2-amine
PubChem CID134145743
Molecular FormulaC13H11N5S
Molecular Weight269.33 g/mol
Exact Mass269.07
IUPAC Name4-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazol-2-amine
SMILESc1ccc(-c2csc(NCc3ncccn3)n2)nc1
InChIInChI=1S/C13H11N5S/c1-2-5-14-10(4-1)11-9-19-13(18-11)17-8-12-15-6-3-7-16-12/h1-7,9H,8H2,(H,17,18)
InChIKeyWXYJDBQTFIITHP-UHFFFAOYSA-N
XLogP2.61
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazol-2-amine (CID 134145743) is 4-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazol-2-amine is c1ccc(-c2csc(NCc3ncccn3)n2)nc1.
What is the InChIKey of 4-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is WXYJDBQTFIITHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5S/c1-2-5-14-10(4-1)11-9-19-13(18-11)17-8-12-15-6-3-7-16-12/h1-7,9H,8H2,(H,17,18).
What are the key properties of 4-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazol-2-amine?
4-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 269.33 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 134145743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).