N-[3-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]phenyl]acetamide

C16H15N3O2S — CID 647705

IUPACN-[3-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2csc(NCc3ccco3)n2)c1
InChIInChI=1S/C16H15N3O2S/c1-11(20)18-13-5-2-4-12(8-13)15-10-22-16(19-15)17-9-14-6-3-7-21-14/h2-8,10H,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyAOPRXHZBVBYBNH-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.97
Rot. Bonds5

About N-[3-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]phenyl]acetamide

N-[3-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 647705) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[3-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID647705
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-[3-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2csc(NCc3ccco3)n2)c1
InChIInChI=1S/C16H15N3O2S/c1-11(20)18-13-5-2-4-12(8-13)15-10-22-16(19-15)17-9-14-6-3-7-21-14/h2-8,10H,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyAOPRXHZBVBYBNH-UHFFFAOYSA-N
XLogP3.97
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]phenyl]acetamide (CID 647705) is N-[3-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2csc(NCc3ccco3)n2)c1.
What is the InChIKey of N-[3-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is AOPRXHZBVBYBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-11(20)18-13-5-2-4-12(8-13)15-10-22-16(19-15)17-9-14-6-3-7-21-14/h2-8,10H,9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[3-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]phenyl]acetamide?
N-[3-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 313.38 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 647705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).