1,3,5-trimethyl-2,6-bis(1,3-thiazol-4-yl)piperidin-4-one

C14H17N3OS2 — CID 175697387

IUPAC1,3,5-trimethyl-2,6-bis(1,3-thiazol-4-yl)piperidin-4-one
SMILESCC1C(=O)C(C)C(c2cscn2)N(C)C1c1cscn1
InChIInChI=1S/C14H17N3OS2/c1-8-12(10-4-19-6-15-10)17(3)13(9(2)14(8)18)11-5-20-7-16-11/h4-9,12-13H,1-3H3
InChIKeyBNUINENGJHITHF-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.17
Rot. Bonds2

About 1,3,5-trimethyl-2,6-bis(1,3-thiazol-4-yl)piperidin-4-one

1,3,5-trimethyl-2,6-bis(1,3-thiazol-4-yl)piperidin-4-one (PubChem CID 175697387) has the molecular formula C14H17N3OS2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1,3,5-trimethyl-2,6-bis(1,3-thiazol-4-yl)piperidin-4-one.

Molecular Properties

Compound Name1,3,5-trimethyl-2,6-bis(1,3-thiazol-4-yl)piperidin-4-one
PubChem CID175697387
Molecular FormulaC14H17N3OS2
Molecular Weight307.44 g/mol
Exact Mass307.08
IUPAC Name1,3,5-trimethyl-2,6-bis(1,3-thiazol-4-yl)piperidin-4-one
SMILESCC1C(=O)C(C)C(c2cscn2)N(C)C1c1cscn1
InChIInChI=1S/C14H17N3OS2/c1-8-12(10-4-19-6-15-10)17(3)13(9(2)14(8)18)11-5-20-7-16-11/h4-9,12-13H,1-3H3
InChIKeyBNUINENGJHITHF-UHFFFAOYSA-N
XLogP3.17
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1-methylpyrrolidin-2-yl)-1,3-thiazole
CID 143153913
1-(aminomethyl)-5-(1,3-thiazol-4-yl)imidazolidine-2,4-dione;hydrochloride
CID 175802168
5-amino-3-but-3-yn-2-yl-4-(1,3-thiazol-4-yl)-4H-imidazol-2-one
CID 114420685
(3S,4R)-2-[(2S)-2-hydroxypropyl]-1-oxo-3-(1,3-thiazol-4-yl)-3,4-dihydroisoquinoline-4-carboxylic acid
CID 95763779
(3R,4S)-2-[(2S)-2-hydroxypropyl]-1-oxo-3-(1,3-thiazol-4-yl)-3,4-dihydroisoquinoline-4-carboxylic acid
CID 98767088
2-(1,3-thiazol-4-yl)imidazolidin-4-one
CID 130626227
N-[[4-methyl-3-(1,3-thiazol-4-yl)morpholin-2-yl]methyl]cyclopropanamine
CID 113472487
(3R,4S)-1-(4-methoxyphenyl)-3-phenylmethoxy-4-(1,3-thiazol-4-yl)azetidin-2-one
CID 10361544
4-methyl-2-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-one
CID 115774387
3-cyclobutyl-4-(1,3-thiazol-4-yl)azetidin-2-one
CID 131138402
4-methylsulfinyl-1,3-thiazole
CID 154436442
4-[(2R)-1,2-dimethyl-3,6-dihydro-2H-pyridin-5-yl]-1,3-thiazole
CID 141160743

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-2,6-bis(1,3-thiazol-4-yl)piperidin-4-one?
The IUPAC name of 1,3,5-trimethyl-2,6-bis(1,3-thiazol-4-yl)piperidin-4-one (CID 175697387) is 1,3,5-trimethyl-2,6-bis(1,3-thiazol-4-yl)piperidin-4-one.
What is the SMILES notation for 1,3,5-trimethyl-2,6-bis(1,3-thiazol-4-yl)piperidin-4-one?
The canonical SMILES for 1,3,5-trimethyl-2,6-bis(1,3-thiazol-4-yl)piperidin-4-one is CC1C(=O)C(C)C(c2cscn2)N(C)C1c1cscn1.
What is the InChIKey of 1,3,5-trimethyl-2,6-bis(1,3-thiazol-4-yl)piperidin-4-one?
The InChIKey is BNUINENGJHITHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS2/c1-8-12(10-4-19-6-15-10)17(3)13(9(2)14(8)18)11-5-20-7-16-11/h4-9,12-13H,1-3H3.
What are the key properties of 1,3,5-trimethyl-2,6-bis(1,3-thiazol-4-yl)piperidin-4-one?
1,3,5-trimethyl-2,6-bis(1,3-thiazol-4-yl)piperidin-4-one has a molecular weight of 307.44 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-2,6-bis(1,3-thiazol-4-yl)piperidin-4-one is sourced from PubChem (CID 175697387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).