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

C18H15N5S2 — CID 44522217

IUPAC4-(4-methyl-1,3-thiazol-2-yl)-N-(pyridin-3-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine
SMILESCc1csc(-c2nc(NCc3cccnc3)ncc2-c2ccsc2)n1
InChIInChI=1S/C18H15N5S2/c1-12-10-25-17(22-12)16-15(14-4-6-24-11-14)9-21-18(23-16)20-8-13-3-2-5-19-7-13/h2-7,9-11H,8H2,1H3,(H,20,21,23)
InChIKeyYETHCSLLXMGPRM-UHFFFAOYSA-N
MW365.49 g/mol
LogP4.64
Rot. Bonds5

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

4-(4-methyl-1,3-thiazol-2-yl)-N-(pyridin-3-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine (PubChem CID 44522217) has the molecular formula C18H15N5S2 and a molecular weight of 365.49 g/mol. Its IUPAC name is 4-(4-methyl-1,3-thiazol-2-yl)-N-(pyridin-3-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methyl-1,3-thiazol-2-yl)-N-(pyridin-3-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine
PubChem CID44522217
Molecular FormulaC18H15N5S2
Molecular Weight365.49 g/mol
Exact Mass365.08
IUPAC Name4-(4-methyl-1,3-thiazol-2-yl)-N-(pyridin-3-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine
SMILESCc1csc(-c2nc(NCc3cccnc3)ncc2-c2ccsc2)n1
InChIInChI=1S/C18H15N5S2/c1-12-10-25-17(22-12)16-15(14-4-6-24-11-14)9-21-18(23-16)20-8-13-3-2-5-19-7-13/h2-7,9-11H,8H2,1H3,(H,20,21,23)
InChIKeyYETHCSLLXMGPRM-UHFFFAOYSA-N
XLogP4.64
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.49
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,3-thiazol-2-yl)-N-(pyridin-3-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine?
The IUPAC name of 4-(4-methyl-1,3-thiazol-2-yl)-N-(pyridin-3-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine (CID 44522217) is 4-(4-methyl-1,3-thiazol-2-yl)-N-(pyridin-3-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-methyl-1,3-thiazol-2-yl)-N-(pyridin-3-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine?
The canonical SMILES for 4-(4-methyl-1,3-thiazol-2-yl)-N-(pyridin-3-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine is Cc1csc(-c2nc(NCc3cccnc3)ncc2-c2ccsc2)n1.
What is the InChIKey of 4-(4-methyl-1,3-thiazol-2-yl)-N-(pyridin-3-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine?
The InChIKey is YETHCSLLXMGPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5S2/c1-12-10-25-17(22-12)16-15(14-4-6-24-11-14)9-21-18(23-16)20-8-13-3-2-5-19-7-13/h2-7,9-11H,8H2,1H3,(H,20,21,23).
What are the key properties of 4-(4-methyl-1,3-thiazol-2-yl)-N-(pyridin-3-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine?
4-(4-methyl-1,3-thiazol-2-yl)-N-(pyridin-3-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine has a molecular weight of 365.49 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,3-thiazol-2-yl)-N-(pyridin-3-ylmethyl)-5-thiophen-3-ylpyrimidin-2-amine is sourced from PubChem (CID 44522217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).