N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide

C14H11N3O2S — CID 8893265

IUPACN-[4-(2-amino-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide
SMILESNc1nc(-c2ccc(NC(=O)c3ccco3)cc2)cs1
InChIInChI=1S/C14H11N3O2S/c15-14-17-11(8-20-14)9-3-5-10(6-4-9)16-13(18)12-2-1-7-19-12/h1-8H,(H2,15,17)(H,16,18)
InChIKeyWOSOYKKMIMIFIV-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.24
Rot. Bonds3

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

N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide (PubChem CID 8893265) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide
PubChem CID8893265
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC NameN-[4-(2-amino-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide
SMILESNc1nc(-c2ccc(NC(=O)c3ccco3)cc2)cs1
InChIInChI=1S/C14H11N3O2S/c15-14-17-11(8-20-14)9-3-5-10(6-4-9)16-13(18)12-2-1-7-19-12/h1-8H,(H2,15,17)(H,16,18)
InChIKeyWOSOYKKMIMIFIV-UHFFFAOYSA-N
XLogP3.24
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide (CID 8893265) is N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide is Nc1nc(-c2ccc(NC(=O)c3ccco3)cc2)cs1.
What is the InChIKey of N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide?
The InChIKey is WOSOYKKMIMIFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c15-14-17-11(8-20-14)9-3-5-10(6-4-9)16-13(18)12-2-1-7-19-12/h1-8H,(H2,15,17)(H,16,18).
What are the key properties of N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide?
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide has a molecular weight of 285.33 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 8893265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).