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

C13H16N4OS — CID 110114185

IUPAC1H-imidazol-5-yl-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCC1(c2nccs2)CCN(C(=O)c2cnc[nH]2)CC1
InChIInChI=1S/C13H16N4OS/c1-13(12-15-4-7-19-12)2-5-17(6-3-13)11(18)10-8-14-9-16-10/h4,7-9H,2-3,5-6H2,1H3,(H,14,16)
InChIKeyBIWKXEAENYQAEJ-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.06
Rot. Bonds2

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

1H-imidazol-5-yl-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 110114185) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is 1H-imidazol-5-yl-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-imidazol-5-yl-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID110114185
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name1H-imidazol-5-yl-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCC1(c2nccs2)CCN(C(=O)c2cnc[nH]2)CC1
InChIInChI=1S/C13H16N4OS/c1-13(12-15-4-7-19-12)2-5-17(6-3-13)11(18)10-8-14-9-16-10/h4,7-9H,2-3,5-6H2,1H3,(H,14,16)
InChIKeyBIWKXEAENYQAEJ-UHFFFAOYSA-N
XLogP2.06
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-5-yl-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of 1H-imidazol-5-yl-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 110114185) is 1H-imidazol-5-yl-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 1H-imidazol-5-yl-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for 1H-imidazol-5-yl-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is CC1(c2nccs2)CCN(C(=O)c2cnc[nH]2)CC1.
What is the InChIKey of 1H-imidazol-5-yl-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is BIWKXEAENYQAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-13(12-15-4-7-19-12)2-5-17(6-3-13)11(18)10-8-14-9-16-10/h4,7-9H,2-3,5-6H2,1H3,(H,14,16).
What are the key properties of 1H-imidazol-5-yl-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
1H-imidazol-5-yl-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 276.36 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-5-yl-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110114185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).