2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1,3-thiazole

C13H17N5S — CID 31537210

IUPAC2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1,3-thiazole
SMILESCc1cc(C)nc(N2CCN(c3nccs3)CC2)n1
InChIInChI=1S/C13H17N5S/c1-10-9-11(2)16-12(15-10)17-4-6-18(7-5-17)13-14-3-8-19-13/h3,8-9H,4-7H2,1-2H3
InChIKeyJANTXXVNTRSBEF-UHFFFAOYSA-N
MW275.38 g/mol
LogP1.88
Rot. Bonds2

About 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1,3-thiazole

2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1,3-thiazole (PubChem CID 31537210) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1,3-thiazole
PubChem CID31537210
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC Name2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1,3-thiazole
SMILESCc1cc(C)nc(N2CCN(c3nccs3)CC2)n1
InChIInChI=1S/C13H17N5S/c1-10-9-11(2)16-12(15-10)17-4-6-18(7-5-17)13-14-3-8-19-13/h3,8-9H,4-7H2,1-2H3
InChIKeyJANTXXVNTRSBEF-UHFFFAOYSA-N
XLogP1.88
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1,3-thiazole (CID 31537210) is 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1,3-thiazole is Cc1cc(C)nc(N2CCN(c3nccs3)CC2)n1.
What is the InChIKey of 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1,3-thiazole?
The InChIKey is JANTXXVNTRSBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c1-10-9-11(2)16-12(15-10)17-4-6-18(7-5-17)13-14-3-8-19-13/h3,8-9H,4-7H2,1-2H3.
What are the key properties of 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1,3-thiazole?
2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1,3-thiazole has a molecular weight of 275.38 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 31537210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).