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

C16H13FN2O3S — CID 111565671

IUPACN-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCC(O)c1ccccc1F)c1csc(-c2ccoc2)n1
InChIInChI=1S/C16H13FN2O3S/c17-12-4-2-1-3-11(12)14(20)7-18-15(21)13-9-23-16(19-13)10-5-6-22-8-10/h1-6,8-9,14,20H,7H2,(H,18,21)
InChIKeyMUEZRCDUJKRGMC-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.01
Rot. Bonds5

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

N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 111565671) has the molecular formula C16H13FN2O3S and a molecular weight of 332.36 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID111565671
Molecular FormulaC16H13FN2O3S
Molecular Weight332.36 g/mol
Exact Mass332.06
IUPAC NameN-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCC(O)c1ccccc1F)c1csc(-c2ccoc2)n1
InChIInChI=1S/C16H13FN2O3S/c17-12-4-2-1-3-11(12)14(20)7-18-15(21)13-9-23-16(19-13)10-5-6-22-8-10/h1-6,8-9,14,20H,7H2,(H,18,21)
InChIKeyMUEZRCDUJKRGMC-UHFFFAOYSA-N
XLogP3.01
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide (CID 111565671) is N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide is O=C(NCC(O)c1ccccc1F)c1csc(-c2ccoc2)n1.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is MUEZRCDUJKRGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3S/c17-12-4-2-1-3-11(12)14(20)7-18-15(21)13-9-23-16(19-13)10-5-6-22-8-10/h1-6,8-9,14,20H,7H2,(H,18,21).
What are the key properties of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide?
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 111565671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).