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

C16H20N4OS — CID 110332738

IUPAC3-(2-methyl-1,3-thiazol-4-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESCc1nc(CCC(=O)N2CCN(c3ccccn3)CC2)cs1
InChIInChI=1S/C16H20N4OS/c1-13-18-14(12-22-13)5-6-16(21)20-10-8-19(9-11-20)15-4-2-3-7-17-15/h2-4,7,12H,5-6,8-11H2,1H3
InChIKeyCLBWRHGGBDAIRH-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.13
Rot. Bonds4

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

3-(2-methyl-1,3-thiazol-4-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 110332738) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 3-(2-methyl-1,3-thiazol-4-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-methyl-1,3-thiazol-4-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID110332738
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name3-(2-methyl-1,3-thiazol-4-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESCc1nc(CCC(=O)N2CCN(c3ccccn3)CC2)cs1
InChIInChI=1S/C16H20N4OS/c1-13-18-14(12-22-13)5-6-16(21)20-10-8-19(9-11-20)15-4-2-3-7-17-15/h2-4,7,12H,5-6,8-11H2,1H3
InChIKeyCLBWRHGGBDAIRH-UHFFFAOYSA-N
XLogP2.13
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 86862469
3-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 110678855
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one
CID 110332735
N-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 30858709
1-(4-pyridin-2-ylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 9119477
3-(2-phenyl-1,3-thiazol-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 110332890
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
1-(4-pyridin-2-ylpiperazin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 47016242
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one
CID 110610717
3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 27377025
4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 22692257

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3-thiazol-4-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(2-methyl-1,3-thiazol-4-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (CID 110332738) is 3-(2-methyl-1,3-thiazol-4-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(2-methyl-1,3-thiazol-4-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(2-methyl-1,3-thiazol-4-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is Cc1nc(CCC(=O)N2CCN(c3ccccn3)CC2)cs1.
What is the InChIKey of 3-(2-methyl-1,3-thiazol-4-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is CLBWRHGGBDAIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-13-18-14(12-22-13)5-6-16(21)20-10-8-19(9-11-20)15-4-2-3-7-17-15/h2-4,7,12H,5-6,8-11H2,1H3.
What are the key properties of 3-(2-methyl-1,3-thiazol-4-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
3-(2-methyl-1,3-thiazol-4-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 316.43 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-thiazol-4-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 110332738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).