N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

C16H16N2O3S2 — CID 111481280

IUPACN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1ccc(C(C)(O)CNC(=O)c2cnc(-c3ccsc3)s2)o1
InChIInChI=1S/C16H16N2O3S2/c1-10-3-4-13(21-10)16(2,20)9-18-14(19)12-7-17-15(23-12)11-5-6-22-8-11/h3-8,20H,9H2,1-2H3,(H,18,19)
InChIKeyJRTBALCMBDXMIV-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.41
Rot. Bonds5

About N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 111481280) has the molecular formula C16H16N2O3S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
PubChem CID111481280
Molecular FormulaC16H16N2O3S2
Molecular Weight348.45 g/mol
Exact Mass348.06
IUPAC NameN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1ccc(C(C)(O)CNC(=O)c2cnc(-c3ccsc3)s2)o1
InChIInChI=1S/C16H16N2O3S2/c1-10-3-4-13(21-10)16(2,20)9-18-14(19)12-7-17-15(23-12)11-5-6-22-8-11/h3-8,20H,9H2,1-2H3,(H,18,19)
InChIKeyJRTBALCMBDXMIV-UHFFFAOYSA-N
XLogP3.41
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (CID 111481280) is N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is Cc1ccc(C(C)(O)CNC(=O)c2cnc(-c3ccsc3)s2)o1.
What is the InChIKey of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is JRTBALCMBDXMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S2/c1-10-3-4-13(21-10)16(2,20)9-18-14(19)12-7-17-15(23-12)11-5-6-22-8-11/h3-8,20H,9H2,1-2H3,(H,18,19).
What are the key properties of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 111481280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).