5-(2,5-dichloropyrimidin-4-yl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole

C13H14Cl2N4S — CID 171661066

IUPAC5-(2,5-dichloropyrimidin-4-yl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole
SMILESCN1CCC(c2ncc(-c3nc(Cl)ncc3Cl)s2)CC1
InChIInChI=1S/C13H14Cl2N4S/c1-19-4-2-8(3-5-19)12-16-7-10(20-12)11-9(14)6-17-13(15)18-11/h6-8H,2-5H2,1H3
InChIKeyRNFRJYDKVWONKM-UHFFFAOYSA-N
MW329.26 g/mol
LogP3.72
Rot. Bonds2

About 5-(2,5-dichloropyrimidin-4-yl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole

5-(2,5-dichloropyrimidin-4-yl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole (PubChem CID 171661066) has the molecular formula C13H14Cl2N4S and a molecular weight of 329.26 g/mol. Its IUPAC name is 5-(2,5-dichloropyrimidin-4-yl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-(2,5-dichloropyrimidin-4-yl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole
PubChem CID171661066
Molecular FormulaC13H14Cl2N4S
Molecular Weight329.26 g/mol
Exact Mass328.03
IUPAC Name5-(2,5-dichloropyrimidin-4-yl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole
SMILESCN1CCC(c2ncc(-c3nc(Cl)ncc3Cl)s2)CC1
InChIInChI=1S/C13H14Cl2N4S/c1-19-4-2-8(3-5-19)12-16-7-10(20-12)11-9(14)6-17-13(15)18-11/h6-8H,2-5H2,1H3
InChIKeyRNFRJYDKVWONKM-UHFFFAOYSA-N
XLogP3.72
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichloropyrimidin-4-yl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole?
The IUPAC name of 5-(2,5-dichloropyrimidin-4-yl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole (CID 171661066) is 5-(2,5-dichloropyrimidin-4-yl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole.
What is the SMILES notation for 5-(2,5-dichloropyrimidin-4-yl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole?
The canonical SMILES for 5-(2,5-dichloropyrimidin-4-yl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole is CN1CCC(c2ncc(-c3nc(Cl)ncc3Cl)s2)CC1.
What is the InChIKey of 5-(2,5-dichloropyrimidin-4-yl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole?
The InChIKey is RNFRJYDKVWONKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4S/c1-19-4-2-8(3-5-19)12-16-7-10(20-12)11-9(14)6-17-13(15)18-11/h6-8H,2-5H2,1H3.
What are the key properties of 5-(2,5-dichloropyrimidin-4-yl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole?
5-(2,5-dichloropyrimidin-4-yl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole has a molecular weight of 329.26 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichloropyrimidin-4-yl)-2-(1-methylpiperidin-4-yl)-1,3-thiazole is sourced from PubChem (CID 171661066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).