1-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-3-pyridin-2-ylpropan-1-one

C16H22N4OS — CID 95778303

IUPAC1-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-3-pyridin-2-ylpropan-1-one
SMILESC[C@H]1CN=C(N2CCN(C(=O)CCc3ccccn3)CC2)S1
InChIInChI=1S/C16H22N4OS/c1-13-12-18-16(22-13)20-10-8-19(9-11-20)15(21)6-5-14-4-2-3-7-17-14/h2-4,7,13H,5-6,8-12H2,1H3/t13-/m0/s1
InChIKeySCTRIMMWNLQYFO-ZDUSSCGKSA-N
MW318.45 g/mol
LogP1.65
Rot. Bonds3

About 1-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-3-pyridin-2-ylpropan-1-one

1-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-3-pyridin-2-ylpropan-1-one (PubChem CID 95778303) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 1-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-3-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-3-pyridin-2-ylpropan-1-one
PubChem CID95778303
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name1-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-3-pyridin-2-ylpropan-1-one
SMILESC[C@H]1CN=C(N2CCN(C(=O)CCc3ccccn3)CC2)S1
InChIInChI=1S/C16H22N4OS/c1-13-12-18-16(22-13)20-10-8-19(9-11-20)15(21)6-5-14-4-2-3-7-17-14/h2-4,7,13H,5-6,8-12H2,1H3/t13-/m0/s1
InChIKeySCTRIMMWNLQYFO-ZDUSSCGKSA-N
XLogP1.65
TPSA48.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-fluorophenyl)-1-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 71986172
3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one
CID 84583378
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 110389220
ethyl 4-(3-pyridin-2-ylpropanoyl)piperazine-1-carboxylate
CID 110389199
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 136534066
2-(6-chloro-3-pyridinyl)-1-[4-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 84584772
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
1-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 129005727
1-[(4S)-4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 129473864
1-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridin-2-ylpropan-1-one
CID 112534839
1-[3-(methylamino)pyrrolidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 81466575
1-[(2R)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-3-pyridin-2-ylpropan-1-one
CID 129474806

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-3-pyridin-2-ylpropan-1-one?
The IUPAC name of 1-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-3-pyridin-2-ylpropan-1-one (CID 95778303) is 1-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-3-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 1-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-3-pyridin-2-ylpropan-1-one?
The canonical SMILES for 1-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-3-pyridin-2-ylpropan-1-one is C[C@H]1CN=C(N2CCN(C(=O)CCc3ccccn3)CC2)S1.
What is the InChIKey of 1-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-3-pyridin-2-ylpropan-1-one?
The InChIKey is SCTRIMMWNLQYFO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-13-12-18-16(22-13)20-10-8-19(9-11-20)15(21)6-5-14-4-2-3-7-17-14/h2-4,7,13H,5-6,8-12H2,1H3/t13-/m0/s1.
What are the key properties of 1-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-3-pyridin-2-ylpropan-1-one?
1-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-3-pyridin-2-ylpropan-1-one has a molecular weight of 318.45 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]-3-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 95778303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).