N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

C16H15FN4O2S — CID 51094276

IUPACN-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)NCC(O)c3cccc(F)c3)cs2)cn1
InChIInChI=1S/C16H15FN4O2S/c1-21-8-11(6-19-21)16-20-13(9-24-16)15(23)18-7-14(22)10-3-2-4-12(17)5-10/h2-6,8-9,14,22H,7H2,1H3,(H,18,23)
InChIKeyXXRAMXPQKYTVOI-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.15
Rot. Bonds5

About N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 51094276) has the molecular formula C16H15FN4O2S and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID51094276
Molecular FormulaC16H15FN4O2S
Molecular Weight346.39 g/mol
Exact Mass346.09
IUPAC NameN-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)NCC(O)c3cccc(F)c3)cs2)cn1
InChIInChI=1S/C16H15FN4O2S/c1-21-8-11(6-19-21)16-20-13(9-24-16)15(23)18-7-14(22)10-3-2-4-12(17)5-10/h2-6,8-9,14,22H,7H2,1H3,(H,18,23)
InChIKeyXXRAMXPQKYTVOI-UHFFFAOYSA-N
XLogP2.15
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 51094276) is N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is Cn1cc(-c2nc(C(=O)NCC(O)c3cccc(F)c3)cs2)cn1.
What is the InChIKey of N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is XXRAMXPQKYTVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2S/c1-21-8-11(6-19-21)16-20-13(9-24-16)15(23)18-7-14(22)10-3-2-4-12(17)5-10/h2-6,8-9,14,22H,7H2,1H3,(H,18,23).
What are the key properties of N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 51094276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).