lithium;2-(1H-pyrazol-4-yl)-1,3-thiazole;2-(1H-pyrazol-4-yl)-5H-1,3-thiazol-5-ide;1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]-1-pyridin-4-ylpropan-1-ol;1-pyridin-4-ylpropan-1-one

C34H32LiN11O2S3 — CID 160793723

IUPAClithium;2-(1H-pyrazol-4-yl)-1,3-thiazole;2-(1H-pyrazol-4-yl)-5H-1,3-thiazol-5-ide;1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]-1-pyridin-4-ylpropan-1-ol;1-pyridin-4-ylpropan-1-one
SMILESCCC(=O)c1ccncc1.CCC(O)(c1ccncc1)c1cnc(-c2cn[nH]c2)s1.[Li+].[c-]1cnc(-c2cn[nH]c2)s1.c1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C14H14N4OS.C8H9NO.C6H5N3S.C6H4N3S.Li/c1-2-14(19,11-3-5-15-6-4-11)12-9-16-13(20-12)10-7-17-18-8-10;1-2-8(10)7-3-5-9-6-4-7;2*1-2-10-6(7-1)5-3-8-9-4-5;/h3-9,19H,2H2,1H3,(H,17,18);3-6H,2H2,1H3;1-4H,(H,8,9);1,3-4H,(H,8,9);/q;;;-1;+1
InChIKeyXQZSGBFNUIJKLT-UHFFFAOYSA-N
MW729.85 g/mol
LogP4.12
Rot. Bonds8

About lithium;2-(1H-pyrazol-4-yl)-1,3-thiazole;2-(1H-pyrazol-4-yl)-5H-1,3-thiazol-5-ide;1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]-1-pyridin-4-ylpropan-1-ol;1-pyridin-4-ylpropan-1-one

lithium;2-(1H-pyrazol-4-yl)-1,3-thiazole;2-(1H-pyrazol-4-yl)-5H-1,3-thiazol-5-ide;1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]-1-pyridin-4-ylpropan-1-ol;1-pyridin-4-ylpropan-1-one (PubChem CID 160793723) has the molecular formula C34H32LiN11O2S3 and a molecular weight of 729.85 g/mol. Its IUPAC name is lithium;2-(1H-pyrazol-4-yl)-1,3-thiazole;2-(1H-pyrazol-4-yl)-5H-1,3-thiazol-5-ide;1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]-1-pyridin-4-ylpropan-1-ol;1-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Namelithium;2-(1H-pyrazol-4-yl)-1,3-thiazole;2-(1H-pyrazol-4-yl)-5H-1,3-thiazol-5-ide;1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]-1-pyridin-4-ylpropan-1-ol;1-pyridin-4-ylpropan-1-one
PubChem CID160793723
Molecular FormulaC34H32LiN11O2S3
Molecular Weight729.85 g/mol
Exact Mass729.21
IUPAC Namelithium;2-(1H-pyrazol-4-yl)-1,3-thiazole;2-(1H-pyrazol-4-yl)-5H-1,3-thiazol-5-ide;1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]-1-pyridin-4-ylpropan-1-ol;1-pyridin-4-ylpropan-1-one
SMILESCCC(=O)c1ccncc1.CCC(O)(c1ccncc1)c1cnc(-c2cn[nH]c2)s1.[Li+].[c-]1cnc(-c2cn[nH]c2)s1.c1csc(-c2cn[nH]c2)n1
InChIInChI=1S/C14H14N4OS.C8H9NO.C6H5N3S.C6H4N3S.Li/c1-2-14(19,11-3-5-15-6-4-11)12-9-16-13(20-12)10-7-17-18-8-10;1-2-8(10)7-3-5-9-6-4-7;2*1-2-10-6(7-1)5-3-8-9-4-5;/h3-9,19H,2H2,1H3,(H,17,18);3-6H,2H2,1H3;1-4H,(H,8,9);1,3-4H,(H,8,9);/q;;;-1;+1
InChIKeyXQZSGBFNUIJKLT-UHFFFAOYSA-N
XLogP4.12
TPSA187.79 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.85
LogP ≤ 54.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium;2-(1H-pyrazol-4-yl)-1,3-thiazole;2-(1H-pyrazol-4-yl)-5H-1,3-thiazol-5-ide;1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]-1-pyridin-4-ylpropan-1-ol;1-pyridin-4-ylpropan-1-one?
The IUPAC name of lithium;2-(1H-pyrazol-4-yl)-1,3-thiazole;2-(1H-pyrazol-4-yl)-5H-1,3-thiazol-5-ide;1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]-1-pyridin-4-ylpropan-1-ol;1-pyridin-4-ylpropan-1-one (CID 160793723) is lithium;2-(1H-pyrazol-4-yl)-1,3-thiazole;2-(1H-pyrazol-4-yl)-5H-1,3-thiazol-5-ide;1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]-1-pyridin-4-ylpropan-1-ol;1-pyridin-4-ylpropan-1-one.
What is the SMILES notation for lithium;2-(1H-pyrazol-4-yl)-1,3-thiazole;2-(1H-pyrazol-4-yl)-5H-1,3-thiazol-5-ide;1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]-1-pyridin-4-ylpropan-1-ol;1-pyridin-4-ylpropan-1-one?
The canonical SMILES for lithium;2-(1H-pyrazol-4-yl)-1,3-thiazole;2-(1H-pyrazol-4-yl)-5H-1,3-thiazol-5-ide;1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]-1-pyridin-4-ylpropan-1-ol;1-pyridin-4-ylpropan-1-one is CCC(=O)c1ccncc1.CCC(O)(c1ccncc1)c1cnc(-c2cn[nH]c2)s1.[Li+].[c-]1cnc(-c2cn[nH]c2)s1.c1csc(-c2cn[nH]c2)n1.
What is the InChIKey of lithium;2-(1H-pyrazol-4-yl)-1,3-thiazole;2-(1H-pyrazol-4-yl)-5H-1,3-thiazol-5-ide;1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]-1-pyridin-4-ylpropan-1-ol;1-pyridin-4-ylpropan-1-one?
The InChIKey is XQZSGBFNUIJKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS.C8H9NO.C6H5N3S.C6H4N3S.Li/c1-2-14(19,11-3-5-15-6-4-11)12-9-16-13(20-12)10-7-17-18-8-10;1-2-8(10)7-3-5-9-6-4-7;2*1-2-10-6(7-1)5-3-8-9-4-5;/h3-9,19H,2H2,1H3,(H,17,18);3-6H,2H2,1H3;1-4H,(H,8,9);1,3-4H,(H,8,9);/q;;;-1;+1.
What are the key properties of lithium;2-(1H-pyrazol-4-yl)-1,3-thiazole;2-(1H-pyrazol-4-yl)-5H-1,3-thiazol-5-ide;1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]-1-pyridin-4-ylpropan-1-ol;1-pyridin-4-ylpropan-1-one?
lithium;2-(1H-pyrazol-4-yl)-1,3-thiazole;2-(1H-pyrazol-4-yl)-5H-1,3-thiazol-5-ide;1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]-1-pyridin-4-ylpropan-1-ol;1-pyridin-4-ylpropan-1-one has a molecular weight of 729.85 g/mol, XLogP of 4.12, 8 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-(1H-pyrazol-4-yl)-1,3-thiazole;2-(1H-pyrazol-4-yl)-5H-1,3-thiazol-5-ide;1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-5-yl]-1-pyridin-4-ylpropan-1-ol;1-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 160793723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).