1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one

C16H20N4OS — CID 56821909

IUPAC1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one
SMILESCc1csc(N2CCN(C(=O)CCc3ccccn3)CC2)n1
InChIInChI=1S/C16H20N4OS/c1-13-12-22-16(18-13)20-10-8-19(9-11-20)15(21)6-5-14-4-2-3-7-17-14/h2-4,7,12H,5-6,8-11H2,1H3
InChIKeyLJWUFRKELURDBZ-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.13
Rot. Bonds4

About 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one

1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one (PubChem CID 56821909) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one
PubChem CID56821909
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one
SMILESCc1csc(N2CCN(C(=O)CCc3ccccn3)CC2)n1
InChIInChI=1S/C16H20N4OS/c1-13-12-22-16(18-13)20-10-8-19(9-11-20)15(21)6-5-14-4-2-3-7-17-14/h2-4,7,12H,5-6,8-11H2,1H3
InChIKeyLJWUFRKELURDBZ-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

2-(4-fluorophenyl)-N-(4-(pyridin-2-yl)thiazol-2-yl)acetamide
CID 2660463
2-phenyl-1-[(1R,5S)-6-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
CID 49862200
2-phenyl-1-[(1R,5S)-6-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-one
CID 49862239
3-phenyl-1-[(1R,5S)-6-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-one
CID 49862241
[(1S,2S)-2-phenylcyclopropyl]-[(1R,5S)-6-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone
CID 49862289
3-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 2594420
N-[4-(2-pyridinyl)-2-thiazolyl]cyclopentanecarboxamide
CID 2539471
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-(pyridin-2-yl)thiazol-2-yl)acetamide
CID 4123400
2-Phenyl-N-[4-(pyridin-4-YL)-1,3-thiazol-2-YL]acetamide
CID 16344190
4-fluoro-N-methyl-N-(4-(pyridin-2-yl)thiazol-2-yl)benzamide
CID 16661408
4-fluoro-N-methyl-N-(4-(pyridin-4-yl)thiazol-2-yl)benzamide
CID 16661726
N-ethyl-4-fluoro-N-(4-(pyridin-2-yl)thiazol-2-yl)benzamide
CID 16661728

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one?
The IUPAC name of 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one (CID 56821909) is 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one?
The canonical SMILES for 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one is Cc1csc(N2CCN(C(=O)CCc3ccccn3)CC2)n1.
What is the InChIKey of 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one?
The InChIKey is LJWUFRKELURDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-13-12-22-16(18-13)20-10-8-19(9-11-20)15(21)6-5-14-4-2-3-7-17-14/h2-4,7,12H,5-6,8-11H2,1H3.
What are the key properties of 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one?
1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-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 1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 56821909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).