1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propan-2-one

C16H26N2OS — CID 147704337

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propan-2-one
SMILESCc1nc(CC(=O)C[C@@H]2CCCN(C(C)C)C2)sc1C
InChIInChI=1S/C16H26N2OS/c1-11(2)18-7-5-6-14(10-18)8-15(19)9-16-17-12(3)13(4)20-16/h11,14H,5-10H2,1-4H3/t14-/m0/s1
InChIKeyGTMAJIBVFIVEPV-AWEZNQCLSA-N
MW294.46 g/mol
LogP3.38
Rot. Bonds5

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propan-2-one

1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propan-2-one (PubChem CID 147704337) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propan-2-one.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propan-2-one
PubChem CID147704337
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propan-2-one
SMILESCc1nc(CC(=O)C[C@@H]2CCCN(C(C)C)C2)sc1C
InChIInChI=1S/C16H26N2OS/c1-11(2)18-7-5-6-14(10-18)8-15(19)9-16-17-12(3)13(4)20-16/h11,14H,5-10H2,1-4H3/t14-/m0/s1
InChIKeyGTMAJIBVFIVEPV-AWEZNQCLSA-N
XLogP3.38
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propan-2-one?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propan-2-one (CID 147704337) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propan-2-one.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propan-2-one?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propan-2-one is Cc1nc(CC(=O)C[C@@H]2CCCN(C(C)C)C2)sc1C.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propan-2-one?
The InChIKey is GTMAJIBVFIVEPV-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-11(2)18-7-5-6-14(10-18)8-15(19)9-16-17-12(3)13(4)20-16/h11,14H,5-10H2,1-4H3/t14-/m0/s1.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propan-2-one?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propan-2-one has a molecular weight of 294.46 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propan-2-one is sourced from PubChem (CID 147704337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).