N-(furan-2-ylmethyl)-2-(4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide

C14H12N2O2S2 — CID 20995892

IUPACN-(furan-2-ylmethyl)-2-(4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
SMILESO=C(Cc1scnc1-c1cccs1)NCc1ccco1
InChIInChI=1S/C14H12N2O2S2/c17-13(15-8-10-3-1-5-18-10)7-12-14(16-9-20-12)11-4-2-6-19-11/h1-6,9H,7-8H2,(H,15,17)
InChIKeyLBPUWYWHMQOOTD-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.32
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide

N-(furan-2-ylmethyl)-2-(4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide (PubChem CID 20995892) has the molecular formula C14H12N2O2S2 and a molecular weight of 304.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
PubChem CID20995892
Molecular FormulaC14H12N2O2S2
Molecular Weight304.40 g/mol
Exact Mass304.03
IUPAC NameN-(furan-2-ylmethyl)-2-(4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
SMILESO=C(Cc1scnc1-c1cccs1)NCc1ccco1
InChIInChI=1S/C14H12N2O2S2/c17-13(15-8-10-3-1-5-18-10)7-12-14(16-9-20-12)11-4-2-6-19-11/h1-6,9H,7-8H2,(H,15,17)
InChIKeyLBPUWYWHMQOOTD-UHFFFAOYSA-N
XLogP3.32
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide (CID 20995892) is N-(furan-2-ylmethyl)-2-(4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide is O=C(Cc1scnc1-c1cccs1)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide?
The InChIKey is LBPUWYWHMQOOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S2/c17-13(15-8-10-3-1-5-18-10)7-12-14(16-9-20-12)11-4-2-6-19-11/h1-6,9H,7-8H2,(H,15,17).
What are the key properties of N-(furan-2-ylmethyl)-2-(4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide?
N-(furan-2-ylmethyl)-2-(4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide has a molecular weight of 304.40 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 20995892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).