1,3-thiazol-2-yl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone

C14H14N2O2S2 — CID 16670263

IUPAC1,3-thiazol-2-yl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1nccs1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C14H14N2O2S2/c17-12(13-15-5-9-20-13)10-3-6-16(7-4-10)14(18)11-2-1-8-19-11/h1-2,5,8-10H,3-4,6-7H2
InChIKeyRDSBCZIVVXECMI-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.94
Rot. Bonds3

About 1,3-thiazol-2-yl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone

1,3-thiazol-2-yl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone (PubChem CID 16670263) has the molecular formula C14H14N2O2S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1,3-thiazol-2-yl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name1,3-thiazol-2-yl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
PubChem CID16670263
Molecular FormulaC14H14N2O2S2
Molecular Weight306.41 g/mol
Exact Mass306.05
IUPAC Name1,3-thiazol-2-yl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1nccs1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C14H14N2O2S2/c17-12(13-15-5-9-20-13)10-3-6-16(7-4-10)14(18)11-2-1-8-19-11/h1-2,5,8-10H,3-4,6-7H2
InChIKeyRDSBCZIVVXECMI-UHFFFAOYSA-N
XLogP2.94
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-2-yl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of 1,3-thiazol-2-yl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone (CID 16670263) is 1,3-thiazol-2-yl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for 1,3-thiazol-2-yl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for 1,3-thiazol-2-yl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone is O=C(c1nccs1)C1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of 1,3-thiazol-2-yl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone?
The InChIKey is RDSBCZIVVXECMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S2/c17-12(13-15-5-9-20-13)10-3-6-16(7-4-10)14(18)11-2-1-8-19-11/h1-2,5,8-10H,3-4,6-7H2.
What are the key properties of 1,3-thiazol-2-yl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone?
1,3-thiazol-2-yl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone has a molecular weight of 306.41 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-2-yl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 16670263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).