[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

C17H28N4OS — CID 11573599

IUPAC[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2csc(CN3CCCCC3)n2)CC1
InChIInChI=1S/C17H28N4OS/c1-14(2)20-8-10-21(11-9-20)17(22)15-13-23-16(18-15)12-19-6-4-3-5-7-19/h13-14H,3-12H2,1-2H3
InChIKeyYKFKRDDXFWULSZ-UHFFFAOYSA-N
MW336.51 g/mol
LogP2.30
Rot. Bonds4

About [2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 11573599) has the molecular formula C17H28N4OS and a molecular weight of 336.51 g/mol. Its IUPAC name is [2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID11573599
Molecular FormulaC17H28N4OS
Molecular Weight336.51 g/mol
Exact Mass336.20
IUPAC Name[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2csc(CN3CCCCC3)n2)CC1
InChIInChI=1S/C17H28N4OS/c1-14(2)20-8-10-21(11-9-20)17(22)15-13-23-16(18-15)12-19-6-4-3-5-7-19/h13-14H,3-12H2,1-2H3
InChIKeyYKFKRDDXFWULSZ-UHFFFAOYSA-N
XLogP2.30
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.51
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 11573599) is [2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2csc(CN3CCCCC3)n2)CC1.
What is the InChIKey of [2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is YKFKRDDXFWULSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4OS/c1-14(2)20-8-10-21(11-9-20)17(22)15-13-23-16(18-15)12-19-6-4-3-5-7-19/h13-14H,3-12H2,1-2H3.
What are the key properties of [2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 336.51 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 11573599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).