(4-cyclopentylpiperazin-1-yl)-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone

C17H21N5OS — CID 56816481

IUPAC(4-cyclopentylpiperazin-1-yl)-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2ncccn2)n1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H21N5OS/c23-17(14-12-24-16(20-14)15-18-6-3-7-19-15)22-10-8-21(9-11-22)13-4-1-2-5-13/h3,6-7,12-13H,1-2,4-5,8-11H2
InChIKeyYGVQWBXMLYFILW-UHFFFAOYSA-N
MW343.46 g/mol
LogP2.30
Rot. Bonds3

About (4-cyclopentylpiperazin-1-yl)-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone

(4-cyclopentylpiperazin-1-yl)-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone (PubChem CID 56816481) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl)-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(4-cyclopentylpiperazin-1-yl)-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
PubChem CID56816481
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name(4-cyclopentylpiperazin-1-yl)-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2ncccn2)n1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H21N5OS/c23-17(14-12-24-16(20-14)15-18-6-3-7-19-15)22-10-8-21(9-11-22)13-4-1-2-5-13/h3,6-7,12-13H,1-2,4-5,8-11H2
InChIKeyYGVQWBXMLYFILW-UHFFFAOYSA-N
XLogP2.30
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylpiperazin-1-yl)-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of (4-cyclopentylpiperazin-1-yl)-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone (CID 56816481) is (4-cyclopentylpiperazin-1-yl)-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (4-cyclopentylpiperazin-1-yl)-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (4-cyclopentylpiperazin-1-yl)-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone is O=C(c1csc(-c2ncccn2)n1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of (4-cyclopentylpiperazin-1-yl)-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is YGVQWBXMLYFILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c23-17(14-12-24-16(20-14)15-18-6-3-7-19-15)22-10-8-21(9-11-22)13-4-1-2-5-13/h3,6-7,12-13H,1-2,4-5,8-11H2.
What are the key properties of (4-cyclopentylpiperazin-1-yl)-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone?
(4-cyclopentylpiperazin-1-yl)-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 343.46 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylpiperazin-1-yl)-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 56816481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).