(3-methyl-1,2,4-thiadiazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C12H14N6OS — CID 71807174

IUPAC(3-methyl-1,2,4-thiadiazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1nsc(C(=O)N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C12H14N6OS/c1-9-15-10(20-16-9)11(19)17-5-7-18(8-6-17)12-13-3-2-4-14-12/h2-4H,5-8H2,1H3
InChIKeyIBYCCDVEVOTJOE-UHFFFAOYSA-N
MW290.35 g/mol
LogP0.60
Rot. Bonds2

About (3-methyl-1,2,4-thiadiazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(3-methyl-1,2,4-thiadiazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 71807174) has the molecular formula C12H14N6OS and a molecular weight of 290.35 g/mol. Its IUPAC name is (3-methyl-1,2,4-thiadiazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-methyl-1,2,4-thiadiazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID71807174
Molecular FormulaC12H14N6OS
Molecular Weight290.35 g/mol
Exact Mass290.09
IUPAC Name(3-methyl-1,2,4-thiadiazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1nsc(C(=O)N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C12H14N6OS/c1-9-15-10(20-16-9)11(19)17-5-7-18(8-6-17)12-13-3-2-4-14-12/h2-4H,5-8H2,1H3
InChIKeyIBYCCDVEVOTJOE-UHFFFAOYSA-N
XLogP0.60
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2,4-thiadiazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3-methyl-1,2,4-thiadiazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 71807174) is (3-methyl-1,2,4-thiadiazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-methyl-1,2,4-thiadiazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3-methyl-1,2,4-thiadiazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is Cc1nsc(C(=O)N2CCN(c3ncccn3)CC2)n1.
What is the InChIKey of (3-methyl-1,2,4-thiadiazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is IBYCCDVEVOTJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6OS/c1-9-15-10(20-16-9)11(19)17-5-7-18(8-6-17)12-13-3-2-4-14-12/h2-4H,5-8H2,1H3.
What are the key properties of (3-methyl-1,2,4-thiadiazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(3-methyl-1,2,4-thiadiazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 290.35 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2,4-thiadiazol-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 71807174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).