3-(1-methylpyrazol-4-yl)-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one

C15H20N4OS — CID 95761150

IUPAC3-(1-methylpyrazol-4-yl)-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESCn1cc(CCC(=O)N2CCC[C@H](c3nccs3)C2)cn1
InChIInChI=1S/C15H20N4OS/c1-18-10-12(9-17-18)4-5-14(20)19-7-2-3-13(11-19)15-16-6-8-21-15/h6,8-10,13H,2-5,7,11H2,1H3/t13-/m0/s1
InChIKeyGBQWSEHLHWBDQH-ZDUSSCGKSA-N
MW304.42 g/mol
LogP2.22
Rot. Bonds4

About 3-(1-methylpyrazol-4-yl)-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one

3-(1-methylpyrazol-4-yl)-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 95761150) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
PubChem CID95761150
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name3-(1-methylpyrazol-4-yl)-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESCn1cc(CCC(=O)N2CCC[C@H](c3nccs3)C2)cn1
InChIInChI=1S/C15H20N4OS/c1-18-10-12(9-17-18)4-5-14(20)19-7-2-3-13(11-19)15-16-6-8-21-15/h6,8-10,13H,2-5,7,11H2,1H3/t13-/m0/s1
InChIKeyGBQWSEHLHWBDQH-ZDUSSCGKSA-N
XLogP2.22
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(1-methylpyrazol-4-yl)-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

3-pyridin-3-yl-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 124553959
3-(1-methylpyrazol-4-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 131929330
1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 127247595
3-phenyl-1-[4-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 56544865
2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119873436
3-(3-bromo-4-methoxyphenyl)-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 56532952
3-(1-methylpyrazol-4-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 56816525
3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 124609264
N-cyclopropyl-4-[3-oxo-3-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propyl]benzenesulfonamide
CID 56579127
3-(2-propan-2-ylimidazol-1-yl)-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 124945186
3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95761439
3-(2-methylpyrazol-3-yl)-1-[(3R)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 124959320

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one (CID 95761150) is 3-(1-methylpyrazol-4-yl)-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one is Cn1cc(CCC(=O)N2CCC[C@H](c3nccs3)C2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is GBQWSEHLHWBDQH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-18-10-12(9-17-18)4-5-14(20)19-7-2-3-13(11-19)15-16-6-8-21-15/h6,8-10,13H,2-5,7,11H2,1H3/t13-/m0/s1.
What are the key properties of 3-(1-methylpyrazol-4-yl)-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
3-(1-methylpyrazol-4-yl)-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 304.42 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95761150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).