[2-(furan-2-yl)-1,3-thiazol-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone

C14H16N2O2S — CID 36708255

IUPAC[2-(furan-2-yl)-1,3-thiazol-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
SMILESC[C@H]1CCCN(C(=O)c2csc(-c3ccco3)n2)C1
InChIInChI=1S/C14H16N2O2S/c1-10-4-2-6-16(8-10)14(17)11-9-19-13(15-11)12-5-3-7-18-12/h3,5,7,9-10H,2,4,6,8H2,1H3/t10-/m0/s1
InChIKeyKVDHFVAGOBYLKX-JTQLQIEISA-N
MW276.36 g/mol
LogP3.28
Rot. Bonds2

About [2-(furan-2-yl)-1,3-thiazol-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone

[2-(furan-2-yl)-1,3-thiazol-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone (PubChem CID 36708255) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is [2-(furan-2-yl)-1,3-thiazol-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(furan-2-yl)-1,3-thiazol-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
PubChem CID36708255
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name[2-(furan-2-yl)-1,3-thiazol-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
SMILESC[C@H]1CCCN(C(=O)c2csc(-c3ccco3)n2)C1
InChIInChI=1S/C14H16N2O2S/c1-10-4-2-6-16(8-10)14(17)11-9-19-13(15-11)12-5-3-7-18-12/h3,5,7,9-10H,2,4,6,8H2,1H3/t10-/m0/s1
InChIKeyKVDHFVAGOBYLKX-JTQLQIEISA-N
XLogP3.28
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(furan-2-yl)-1,3-thiazol-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(furan-2-yl)-1,3-thiazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 56811264
[2-(furan-2-yl)-1,3-thiazol-4-yl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95606751
[2-(furan-2-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 36708538
[2-(furan-2-yl)-1,3-thiazol-4-yl]-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 75375290
[2-(furan-2-yl)-1,3-thiazol-4-yl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95759229
[2-(furan-2-yl)-1,3-thiazol-4-yl]-(3-phenoxypyrrolidin-1-yl)methanone
CID 56790806
[2-(furan-2-yl)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone
CID 82515785
furan-2-yl-[4-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone
CID 38909287
(2-cyclopentylpyrrolidin-1-yl)-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone
CID 87032302
(3-methylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 46549382
[2-(furan-2-yl)-1,3-thiazol-4-yl]-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 47024879
(3-hydroxypiperidin-1-yl)-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methanone
CID 110889567

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-1,3-thiazol-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone?
The IUPAC name of [2-(furan-2-yl)-1,3-thiazol-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone (CID 36708255) is [2-(furan-2-yl)-1,3-thiazol-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [2-(furan-2-yl)-1,3-thiazol-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone?
The canonical SMILES for [2-(furan-2-yl)-1,3-thiazol-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone is C[C@H]1CCCN(C(=O)c2csc(-c3ccco3)n2)C1.
What is the InChIKey of [2-(furan-2-yl)-1,3-thiazol-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone?
The InChIKey is KVDHFVAGOBYLKX-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-10-4-2-6-16(8-10)14(17)11-9-19-13(15-11)12-5-3-7-18-12/h3,5,7,9-10H,2,4,6,8H2,1H3/t10-/m0/s1.
What are the key properties of [2-(furan-2-yl)-1,3-thiazol-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone?
[2-(furan-2-yl)-1,3-thiazol-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone has a molecular weight of 276.36 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-1,3-thiazol-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 36708255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).