[2-(furan-2-yl)-1,3-thiazol-5-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone

C17H18N4O2S — CID 56779471

IUPAC[2-(furan-2-yl)-1,3-thiazol-5-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1cnn(CC2CCCN2C(=O)c2cnc(-c3ccco3)s2)c1
InChIInChI=1S/C17H18N4O2S/c1-12-8-19-20(10-12)11-13-4-2-6-21(13)17(22)15-9-18-16(24-15)14-5-3-7-23-14/h3,5,7-10,13H,2,4,6,11H2,1H3
InChIKeyLNSSFDJIIICHGB-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.21
Rot. Bonds4

About [2-(furan-2-yl)-1,3-thiazol-5-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone

[2-(furan-2-yl)-1,3-thiazol-5-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 56779471) 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-5-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(furan-2-yl)-1,3-thiazol-5-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID56779471
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name[2-(furan-2-yl)-1,3-thiazol-5-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1cnn(CC2CCCN2C(=O)c2cnc(-c3ccco3)s2)c1
InChIInChI=1S/C17H18N4O2S/c1-12-8-19-20(10-12)11-13-4-2-6-21(13)17(22)15-9-18-16(24-15)14-5-3-7-23-14/h3,5,7-10,13H,2,4,6,11H2,1H3
InChIKeyLNSSFDJIIICHGB-UHFFFAOYSA-N
XLogP3.21
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-1,3-thiazol-5-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of [2-(furan-2-yl)-1,3-thiazol-5-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone (CID 56779471) is [2-(furan-2-yl)-1,3-thiazol-5-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-(furan-2-yl)-1,3-thiazol-5-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for [2-(furan-2-yl)-1,3-thiazol-5-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone is Cc1cnn(CC2CCCN2C(=O)c2cnc(-c3ccco3)s2)c1.
What is the InChIKey of [2-(furan-2-yl)-1,3-thiazol-5-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is LNSSFDJIIICHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-12-8-19-20(10-12)11-13-4-2-6-21(13)17(22)15-9-18-16(24-15)14-5-3-7-23-14/h3,5,7-10,13H,2,4,6,11H2,1H3.
What are the key properties of [2-(furan-2-yl)-1,3-thiazol-5-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
[2-(furan-2-yl)-1,3-thiazol-5-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 342.42 g/mol, XLogP of 3.21, 4 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-5-yl]-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 56779471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).