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

C17H18N4O2S — CID 95606751

IUPAC[2-(furan-2-yl)-1,3-thiazol-4-yl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
SMILESCc1cnn([C@H]2CCCN(C(=O)c3csc(-c4ccco4)n3)C2)c1
InChIInChI=1S/C17H18N4O2S/c1-12-8-18-21(9-12)13-4-2-6-20(10-13)17(22)14-11-24-16(19-14)15-5-3-7-23-15/h3,5,7-9,11,13H,2,4,6,10H2,1H3/t13-/m0/s1
InChIKeyWRPIEZZLDUCSND-ZDUSSCGKSA-N
MW342.42 g/mol
LogP3.39
Rot. Bonds3

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

[2-(furan-2-yl)-1,3-thiazol-4-yl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone (PubChem CID 95606751) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is [2-(furan-2-yl)-1,3-thiazol-4-yl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(furan-2-yl)-1,3-thiazol-4-yl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
PubChem CID95606751
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name[2-(furan-2-yl)-1,3-thiazol-4-yl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
SMILESCc1cnn([C@H]2CCCN(C(=O)c3csc(-c4ccco4)n3)C2)c1
InChIInChI=1S/C17H18N4O2S/c1-12-8-18-21(9-12)13-4-2-6-20(10-13)17(22)14-11-24-16(19-14)15-5-3-7-23-15/h3,5,7-9,11,13H,2,4,6,10H2,1H3/t13-/m0/s1
InChIKeyWRPIEZZLDUCSND-ZDUSSCGKSA-N
XLogP3.39
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(furan-2-yl)-1,3-thiazol-4-yl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-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

[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95286307
[2-(furan-2-yl)-1,3-thiazol-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 36708255
(2-cyclopropyl-1,3-thiazol-4-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95280583
[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]-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 75375290
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 95383312
[(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95382967
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95280828
(5-bromofuran-3-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95280559
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 95297967
(2-aminophenyl)-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119947144
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]ethanone
CID 95158691

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-1,3-thiazol-4-yl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of [2-(furan-2-yl)-1,3-thiazol-4-yl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone (CID 95606751) is [2-(furan-2-yl)-1,3-thiazol-4-yl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(furan-2-yl)-1,3-thiazol-4-yl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(furan-2-yl)-1,3-thiazol-4-yl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone is Cc1cnn([C@H]2CCCN(C(=O)c3csc(-c4ccco4)n3)C2)c1.
What is the InChIKey of [2-(furan-2-yl)-1,3-thiazol-4-yl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is WRPIEZZLDUCSND-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-12-8-18-21(9-12)13-4-2-6-20(10-13)17(22)14-11-24-16(19-14)15-5-3-7-23-15/h3,5,7-9,11,13H,2,4,6,10H2,1H3/t13-/m0/s1.
What are the key properties of [2-(furan-2-yl)-1,3-thiazol-4-yl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone?
[2-(furan-2-yl)-1,3-thiazol-4-yl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 342.42 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-1,3-thiazol-4-yl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95606751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).