3-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

C17H22N4OS — CID 110678855

IUPAC3-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESCc1nc(C)c(CCC(=O)N2CCN(c3ccccn3)CC2)s1
InChIInChI=1S/C17H22N4OS/c1-13-15(23-14(2)19-13)6-7-17(22)21-11-9-20(10-12-21)16-5-3-4-8-18-16/h3-5,8H,6-7,9-12H2,1-2H3
InChIKeyHCUCLXAFWAGSBM-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.44
Rot. Bonds4

About 3-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

3-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 110678855) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 3-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID110678855
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name3-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESCc1nc(C)c(CCC(=O)N2CCN(c3ccccn3)CC2)s1
InChIInChI=1S/C17H22N4OS/c1-13-15(23-14(2)19-13)6-7-17(22)21-11-9-20(10-12-21)16-5-3-4-8-18-16/h3-5,8H,6-7,9-12H2,1-2H3
InChIKeyHCUCLXAFWAGSBM-UHFFFAOYSA-N
XLogP2.44
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one with MolForge

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Related Compounds

3-(2-methyl-1,3-thiazol-4-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 110332738
1-(4-pyridin-2-ylpiperazin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 47016242
1-(4-pyridin-2-ylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 9119477
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
3-(3-chloro-4-methylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 17460018
3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 86862469
2-nitro-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 108814544
4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 22692257
2-(2,4-dimethyl-1,3-oxazol-5-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110680076
3-(propan-2-ylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 60854319
3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 17217465
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (CID 110678855) is 3-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is Cc1nc(C)c(CCC(=O)N2CCN(c3ccccn3)CC2)s1.
What is the InChIKey of 3-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is HCUCLXAFWAGSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-13-15(23-14(2)19-13)6-7-17(22)21-11-9-20(10-12-21)16-5-3-4-8-18-16/h3-5,8H,6-7,9-12H2,1-2H3.
What are the key properties of 3-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
3-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 330.46 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 110678855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).