[2-(furan-2-yl)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone

C12H13N3O2S — CID 82515785

IUPAC[2-(furan-2-yl)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone
SMILESO=C(c1csc(-c2ccco2)n1)N1CCNCC1
InChIInChI=1S/C12H13N3O2S/c16-12(15-5-3-13-4-6-15)9-8-18-11(14-9)10-2-1-7-17-10/h1-2,7-8,13H,3-6H2
InChIKeyPNBRAZZKJQNGPO-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.45
Rot. Bonds2

About [2-(furan-2-yl)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone

[2-(furan-2-yl)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone (PubChem CID 82515785) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is [2-(furan-2-yl)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[2-(furan-2-yl)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone
PubChem CID82515785
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name[2-(furan-2-yl)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone
SMILESO=C(c1csc(-c2ccco2)n1)N1CCNCC1
InChIInChI=1S/C12H13N3O2S/c16-12(15-5-3-13-4-6-15)9-8-18-11(14-9)10-2-1-7-17-10/h1-2,7-8,13H,3-6H2
InChIKeyPNBRAZZKJQNGPO-UHFFFAOYSA-N
XLogP1.45
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(furan-2-yl)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone 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]-morpholin-4-ylmethanone
CID 36708538
furan-2-yl-[4-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone
CID 38909287
[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]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 36708255
[2-(furan-2-yl)-1,3-thiazol-4-yl]-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 47024879
[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone
CID 94285993
[2-(furan-2-yl)-1,3-thiazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38299335
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119401434
1,4-diazepan-1-yl-[2-(furan-3-yl)-1,3-thiazol-4-yl]methanone
CID 119418759
[2-(furan-2-yl)-1,3-thiazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 56811264
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone
CID 36703236
[4-cyclopropyl-2-(furan-2-yl)-1,3-thiazol-5-yl]-piperazin-1-ylmethanone
CID 82437452

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone?
The IUPAC name of [2-(furan-2-yl)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone (CID 82515785) is [2-(furan-2-yl)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [2-(furan-2-yl)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [2-(furan-2-yl)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone is O=C(c1csc(-c2ccco2)n1)N1CCNCC1.
What is the InChIKey of [2-(furan-2-yl)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone?
The InChIKey is PNBRAZZKJQNGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c16-12(15-5-3-13-4-6-15)9-8-18-11(14-9)10-2-1-7-17-10/h1-2,7-8,13H,3-6H2.
What are the key properties of [2-(furan-2-yl)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone?
[2-(furan-2-yl)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone has a molecular weight of 263.32 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 82515785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).