3-amino-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide

C17H24N6OS — CID 119902916

IUPAC3-amino-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide
SMILESCC(N)CC(=O)Nc1nc(CN2CCN(c3ccccn3)CC2)cs1
InChIInChI=1S/C17H24N6OS/c1-13(18)10-16(24)21-17-20-14(12-25-17)11-22-6-8-23(9-7-22)15-4-2-3-5-19-15/h2-5,12-13H,6-11,18H2,1H3,(H,20,21,24)
InChIKeyYVHJYQWOIQURKI-UHFFFAOYSA-N
MW360.49 g/mol
LogP1.54
Rot. Bonds6

About 3-amino-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide

3-amino-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide (PubChem CID 119902916) has the molecular formula C17H24N6OS and a molecular weight of 360.49 g/mol. Its IUPAC name is 3-amino-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name3-amino-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide
PubChem CID119902916
Molecular FormulaC17H24N6OS
Molecular Weight360.49 g/mol
Exact Mass360.17
IUPAC Name3-amino-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide
SMILESCC(N)CC(=O)Nc1nc(CN2CCN(c3ccccn3)CC2)cs1
InChIInChI=1S/C17H24N6OS/c1-13(18)10-16(24)21-17-20-14(12-25-17)11-22-6-8-23(9-7-22)15-4-2-3-5-19-15/h2-5,12-13H,6-11,18H2,1H3,(H,20,21,24)
InChIKeyYVHJYQWOIQURKI-UHFFFAOYSA-N
XLogP1.54
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide?
The IUPAC name of 3-amino-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide (CID 119902916) is 3-amino-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for 3-amino-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for 3-amino-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide is CC(N)CC(=O)Nc1nc(CN2CCN(c3ccccn3)CC2)cs1.
What is the InChIKey of 3-amino-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide?
The InChIKey is YVHJYQWOIQURKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6OS/c1-13(18)10-16(24)21-17-20-14(12-25-17)11-22-6-8-23(9-7-22)15-4-2-3-5-19-15/h2-5,12-13H,6-11,18H2,1H3,(H,20,21,24).
What are the key properties of 3-amino-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide?
3-amino-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide has a molecular weight of 360.49 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 119902916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).