(4-pyrimidin-2-ylpiperazin-1-yl)-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone

C17H22N6OS — CID 74237939

IUPAC(4-pyrimidin-2-ylpiperazin-1-yl)-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(CN2CCCC2)s1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H22N6OS/c24-16(14-12-20-15(25-14)13-21-6-1-2-7-21)22-8-10-23(11-9-22)17-18-4-3-5-19-17/h3-5,12H,1-2,6-11,13H2
InChIKeyXWYXVWYLWLZKDB-UHFFFAOYSA-N
MW358.47 g/mol
LogP1.49
Rot. Bonds4

About (4-pyrimidin-2-ylpiperazin-1-yl)-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone

(4-pyrimidin-2-ylpiperazin-1-yl)-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 74237939) has the molecular formula C17H22N6OS and a molecular weight of 358.47 g/mol. Its IUPAC name is (4-pyrimidin-2-ylpiperazin-1-yl)-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(4-pyrimidin-2-ylpiperazin-1-yl)-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone
PubChem CID74237939
Molecular FormulaC17H22N6OS
Molecular Weight358.47 g/mol
Exact Mass358.16
IUPAC Name(4-pyrimidin-2-ylpiperazin-1-yl)-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(CN2CCCC2)s1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H22N6OS/c24-16(14-12-20-15(25-14)13-21-6-1-2-7-21)22-8-10-23(11-9-22)17-18-4-3-5-19-17/h3-5,12H,1-2,6-11,13H2
InChIKeyXWYXVWYLWLZKDB-UHFFFAOYSA-N
XLogP1.49
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-pyrimidin-2-ylpiperazin-1-yl)-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (4-pyrimidin-2-ylpiperazin-1-yl)-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone (CID 74237939) is (4-pyrimidin-2-ylpiperazin-1-yl)-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (4-pyrimidin-2-ylpiperazin-1-yl)-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (4-pyrimidin-2-ylpiperazin-1-yl)-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone is O=C(c1cnc(CN2CCCC2)s1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (4-pyrimidin-2-ylpiperazin-1-yl)-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is XWYXVWYLWLZKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6OS/c24-16(14-12-20-15(25-14)13-21-6-1-2-7-21)22-8-10-23(11-9-22)17-18-4-3-5-19-17/h3-5,12H,1-2,6-11,13H2.
What are the key properties of (4-pyrimidin-2-ylpiperazin-1-yl)-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone?
(4-pyrimidin-2-ylpiperazin-1-yl)-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 358.47 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrimidin-2-ylpiperazin-1-yl)-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 74237939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).