N-[5-[(E)-3-hydroxy-3-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]prop-1-enyl]-2-pyridinyl]acetamide

C17H20N4O2S — CID 134343499

IUPACN-[5-[(E)-3-hydroxy-3-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]prop-1-enyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C/C(O)N2CCC(c3nccs3)C2)cn1
InChIInChI=1S/C17H20N4O2S/c1-12(22)20-15-4-2-13(10-19-15)3-5-16(23)21-8-6-14(11-21)17-18-7-9-24-17/h2-5,7,9-10,14,16,23H,6,8,11H2,1H3,(H,19,20,22)/b5-3+
InChIKeyRISBQYKSPMFRLP-HWKANZROSA-N
MW344.44 g/mol
LogP2.32
Rot. Bonds5

About N-[5-[(E)-3-hydroxy-3-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]prop-1-enyl]-2-pyridinyl]acetamide

N-[5-[(E)-3-hydroxy-3-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]prop-1-enyl]-2-pyridinyl]acetamide (PubChem CID 134343499) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[5-[(E)-3-hydroxy-3-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]prop-1-enyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[(E)-3-hydroxy-3-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]prop-1-enyl]-2-pyridinyl]acetamide
PubChem CID134343499
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-[5-[(E)-3-hydroxy-3-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]prop-1-enyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C/C(O)N2CCC(c3nccs3)C2)cn1
InChIInChI=1S/C17H20N4O2S/c1-12(22)20-15-4-2-13(10-19-15)3-5-16(23)21-8-6-14(11-21)17-18-7-9-24-17/h2-5,7,9-10,14,16,23H,6,8,11H2,1H3,(H,19,20,22)/b5-3+
InChIKeyRISBQYKSPMFRLP-HWKANZROSA-N
XLogP2.32
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(E)-3-hydroxy-3-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]prop-1-enyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[(E)-3-hydroxy-3-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]prop-1-enyl]-2-pyridinyl]acetamide (CID 134343499) is N-[5-[(E)-3-hydroxy-3-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]prop-1-enyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[(E)-3-hydroxy-3-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]prop-1-enyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[(E)-3-hydroxy-3-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]prop-1-enyl]-2-pyridinyl]acetamide is CC(=O)Nc1ccc(/C=C/C(O)N2CCC(c3nccs3)C2)cn1.
What is the InChIKey of N-[5-[(E)-3-hydroxy-3-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]prop-1-enyl]-2-pyridinyl]acetamide?
The InChIKey is RISBQYKSPMFRLP-HWKANZROSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-12(22)20-15-4-2-13(10-19-15)3-5-16(23)21-8-6-14(11-21)17-18-7-9-24-17/h2-5,7,9-10,14,16,23H,6,8,11H2,1H3,(H,19,20,22)/b5-3+.
What are the key properties of N-[5-[(E)-3-hydroxy-3-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]prop-1-enyl]-2-pyridinyl]acetamide?
N-[5-[(E)-3-hydroxy-3-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]prop-1-enyl]-2-pyridinyl]acetamide has a molecular weight of 344.44 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(E)-3-hydroxy-3-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]prop-1-enyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 134343499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).