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

C17H18N4O2S — CID 56779224

IUPAC[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCc1sc(-c2ccco2)nc1C(=O)N1CCCC1Cn1cccn1
InChIInChI=1S/C17H18N4O2S/c1-12-15(19-16(24-12)14-6-3-10-23-14)17(22)21-9-2-5-13(21)11-20-8-4-7-18-20/h3-4,6-8,10,13H,2,5,9,11H2,1H3
InChIKeyIXDHKCHILLGFJU-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.21
Rot. Bonds4

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

[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 56779224) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is [2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID56779224
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCc1sc(-c2ccco2)nc1C(=O)N1CCCC1Cn1cccn1
InChIInChI=1S/C17H18N4O2S/c1-12-15(19-16(24-12)14-6-3-10-23-14)17(22)21-9-2-5-13(21)11-20-8-4-7-18-20/h3-4,6-8,10,13H,2,5,9,11H2,1H3
InChIKeyIXDHKCHILLGFJU-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)-5-methyl-1,3-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone (CID 56779224) is [2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone is Cc1sc(-c2ccco2)nc1C(=O)N1CCCC1Cn1cccn1.
What is the InChIKey of [2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is IXDHKCHILLGFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-12-15(19-16(24-12)14-6-3-10-23-14)17(22)21-9-2-5-13(21)11-20-8-4-7-18-20/h3-4,6-8,10,13H,2,5,9,11H2,1H3.
What are the key properties of [2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)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)-5-methyl-1,3-thiazol-4-yl]-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 56779224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).