3-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-1H-imidazol-2-one

C12H16N4OS — CID 134795506

IUPAC3-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1C1CCN(Cc2cncs2)CC1
InChIInChI=1S/C12H16N4OS/c17-12-14-3-6-16(12)10-1-4-15(5-2-10)8-11-7-13-9-18-11/h3,6-7,9-10H,1-2,4-5,8H2,(H,14,17)
InChIKeyIVLJUEKXLXNJRB-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.47
Rot. Bonds3

About 3-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-1H-imidazol-2-one

3-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-1H-imidazol-2-one (PubChem CID 134795506) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-1H-imidazol-2-one
PubChem CID134795506
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name3-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1C1CCN(Cc2cncs2)CC1
InChIInChI=1S/C12H16N4OS/c17-12-14-3-6-16(12)10-1-4-15(5-2-10)8-11-7-13-9-18-11/h3,6-7,9-10H,1-2,4-5,8H2,(H,14,17)
InChIKeyIVLJUEKXLXNJRB-UHFFFAOYSA-N
XLogP1.47
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-1H-imidazol-2-one?
The IUPAC name of 3-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-1H-imidazol-2-one (CID 134795506) is 3-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-1H-imidazol-2-one?
The canonical SMILES for 3-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-1H-imidazol-2-one is O=c1[nH]ccn1C1CCN(Cc2cncs2)CC1.
What is the InChIKey of 3-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-1H-imidazol-2-one?
The InChIKey is IVLJUEKXLXNJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c17-12-14-3-6-16(12)10-1-4-15(5-2-10)8-11-7-13-9-18-11/h3,6-7,9-10H,1-2,4-5,8H2,(H,14,17).
What are the key properties of 3-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-1H-imidazol-2-one?
3-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-1H-imidazol-2-one has a molecular weight of 264.35 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-1H-imidazol-2-one is sourced from PubChem (CID 134795506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).