[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone

C22H25N5O2S — CID 66748024

IUPAC[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
SMILESCC(C)COc1cc(N2CCN(C(=O)c3csc(-c4ccccc4)n3)CC2)ncn1
InChIInChI=1S/C22H25N5O2S/c1-16(2)13-29-20-12-19(23-15-24-20)26-8-10-27(11-9-26)22(28)18-14-30-21(25-18)17-6-4-3-5-7-17/h3-7,12,14-16H,8-11,13H2,1-2H3
InChIKeyQWDAFJGENSMDKS-UHFFFAOYSA-N
MW423.54 g/mol
LogP3.60
Rot. Bonds6

About [4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone

[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone (PubChem CID 66748024) has the molecular formula C22H25N5O2S and a molecular weight of 423.54 g/mol. Its IUPAC name is [4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
PubChem CID66748024
Molecular FormulaC22H25N5O2S
Molecular Weight423.54 g/mol
Exact Mass423.17
IUPAC Name[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
SMILESCC(C)COc1cc(N2CCN(C(=O)c3csc(-c4ccccc4)n3)CC2)ncn1
InChIInChI=1S/C22H25N5O2S/c1-16(2)13-29-20-12-19(23-15-24-20)26-8-10-27(11-9-26)22(28)18-14-30-21(25-18)17-6-4-3-5-7-17/h3-7,12,14-16H,8-11,13H2,1-2H3
InChIKeyQWDAFJGENSMDKS-UHFFFAOYSA-N
XLogP3.60
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone (CID 66748024) is [4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone is CC(C)COc1cc(N2CCN(C(=O)c3csc(-c4ccccc4)n3)CC2)ncn1.
What is the InChIKey of [4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone?
The InChIKey is QWDAFJGENSMDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2S/c1-16(2)13-29-20-12-19(23-15-24-20)26-8-10-27(11-9-26)22(28)18-14-30-21(25-18)17-6-4-3-5-7-17/h3-7,12,14-16H,8-11,13H2,1-2H3.
What are the key properties of [4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone?
[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone has a molecular weight of 423.54 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 66748024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).