2-(6-chloro-3-pyridinyl)-1-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanone

C15H19ClN4OS — CID 84584772

IUPAC2-(6-chloro-3-pyridinyl)-1-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanone
SMILESCC1CN=C(N2CCN(C(=O)Cc3ccc(Cl)nc3)CC2)S1
InChIInChI=1S/C15H19ClN4OS/c1-11-9-18-15(22-11)20-6-4-19(5-7-20)14(21)8-12-2-3-13(16)17-10-12/h2-3,10-11H,4-9H2,1H3
InChIKeyJVHWAQGYEXYLGO-UHFFFAOYSA-N
MW338.86 g/mol
LogP1.91
Rot. Bonds2

About 2-(6-chloro-3-pyridinyl)-1-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanone

2-(6-chloro-3-pyridinyl)-1-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 84584772) has the molecular formula C15H19ClN4OS and a molecular weight of 338.86 g/mol. Its IUPAC name is 2-(6-chloro-3-pyridinyl)-1-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(6-chloro-3-pyridinyl)-1-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanone
PubChem CID84584772
Molecular FormulaC15H19ClN4OS
Molecular Weight338.86 g/mol
Exact Mass338.10
IUPAC Name2-(6-chloro-3-pyridinyl)-1-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanone
SMILESCC1CN=C(N2CCN(C(=O)Cc3ccc(Cl)nc3)CC2)S1
InChIInChI=1S/C15H19ClN4OS/c1-11-9-18-15(22-11)20-6-4-19(5-7-20)14(21)8-12-2-3-13(16)17-10-12/h2-3,10-11H,4-9H2,1H3
InChIKeyJVHWAQGYEXYLGO-UHFFFAOYSA-N
XLogP1.91
TPSA48.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(5-chlorofuran-2-yl)-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 95905591
2-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 95788061
N-[1-[2-(6-chloro-3-pyridinyl)acetyl]piperidin-4-yl]-N-ethyl-2-(3-hydroxyphenyl)acetamide
CID 166384167
1-(7-chloro-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(6-chloro-3-pyridinyl)ethanone
CID 86933717
1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone
CID 155161520
(2R)-1-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-2-thiophen-3-ylpropan-1-one
CID 95905579
(2Z,4E)-1-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]hexa-2,4-dien-1-one
CID 129373920
1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-[6-(1,1,1-trifluoropropan-2-yl)-3-pyridinyl]ethanone
CID 160987829
2-(6-methyl-3-pyridinyl)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 56817567
2-(4-chlorophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 5163593
5-chloro-6-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 56795550
1-[(4S)-4-[(6-chloro-3-pyridinyl)methyl]azepan-1-yl]ethanone
CID 95804799

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-pyridinyl)-1-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(6-chloro-3-pyridinyl)-1-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanone (CID 84584772) is 2-(6-chloro-3-pyridinyl)-1-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(6-chloro-3-pyridinyl)-1-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(6-chloro-3-pyridinyl)-1-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanone is CC1CN=C(N2CCN(C(=O)Cc3ccc(Cl)nc3)CC2)S1.
What is the InChIKey of 2-(6-chloro-3-pyridinyl)-1-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is JVHWAQGYEXYLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4OS/c1-11-9-18-15(22-11)20-6-4-19(5-7-20)14(21)8-12-2-3-13(16)17-10-12/h2-3,10-11H,4-9H2,1H3.
What are the key properties of 2-(6-chloro-3-pyridinyl)-1-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
2-(6-chloro-3-pyridinyl)-1-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 338.86 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-pyridinyl)-1-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 84584772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).