N-(pyridin-3-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine

C17H13N5S2 — CID 44522321

IUPACN-(pyridin-3-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine
SMILESc1cncc(CNc2ncc(-c3ccsc3)c(-c3nccs3)n2)c1
InChIInChI=1S/C17H13N5S2/c1-2-12(8-18-4-1)9-20-17-21-10-14(13-3-6-23-11-13)15(22-17)16-19-5-7-24-16/h1-8,10-11H,9H2,(H,20,21,22)
InChIKeyXDPVKZUFJGIZEK-UHFFFAOYSA-N
MW351.46 g/mol
LogP4.34
Rot. Bonds5

About N-(pyridin-3-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine

N-(pyridin-3-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine (PubChem CID 44522321) has the molecular formula C17H13N5S2 and a molecular weight of 351.46 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine
PubChem CID44522321
Molecular FormulaC17H13N5S2
Molecular Weight351.46 g/mol
Exact Mass351.06
IUPAC NameN-(pyridin-3-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine
SMILESc1cncc(CNc2ncc(-c3ccsc3)c(-c3nccs3)n2)c1
InChIInChI=1S/C17H13N5S2/c1-2-12(8-18-4-1)9-20-17-21-10-14(13-3-6-23-11-13)15(22-17)16-19-5-7-24-16/h1-8,10-11H,9H2,(H,20,21,22)
InChIKeyXDPVKZUFJGIZEK-UHFFFAOYSA-N
XLogP4.34
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine?
The IUPAC name of N-(pyridin-3-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine (CID 44522321) is N-(pyridin-3-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine?
The canonical SMILES for N-(pyridin-3-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine is c1cncc(CNc2ncc(-c3ccsc3)c(-c3nccs3)n2)c1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine?
The InChIKey is XDPVKZUFJGIZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5S2/c1-2-12(8-18-4-1)9-20-17-21-10-14(13-3-6-23-11-13)15(22-17)16-19-5-7-24-16/h1-8,10-11H,9H2,(H,20,21,22).
What are the key properties of N-(pyridin-3-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine?
N-(pyridin-3-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine has a molecular weight of 351.46 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-4-(1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-amine is sourced from PubChem (CID 44522321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).