N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]furan-2-carboxamide

C19H14N2O2S — CID 2979650

IUPACN-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(-c2nc3ccccc3s2)cc1)c1ccco1
InChIInChI=1S/C19H14N2O2S/c22-18(16-5-3-11-23-16)20-12-13-7-9-14(10-8-13)19-21-15-4-1-2-6-17(15)24-19/h1-11H,12H2,(H,20,22)
InChIKeySTNUUELXYLFSBC-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.49
Rot. Bonds4

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

N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]furan-2-carboxamide (PubChem CID 2979650) has the molecular formula C19H14N2O2S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]furan-2-carboxamide
PubChem CID2979650
Molecular FormulaC19H14N2O2S
Molecular Weight334.40 g/mol
Exact Mass334.08
IUPAC NameN-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(-c2nc3ccccc3s2)cc1)c1ccco1
InChIInChI=1S/C19H14N2O2S/c22-18(16-5-3-11-23-16)20-12-13-7-9-14(10-8-13)19-21-15-4-1-2-6-17(15)24-19/h1-11H,12H2,(H,20,22)
InChIKeySTNUUELXYLFSBC-UHFFFAOYSA-N
XLogP4.49
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]furan-2-carboxamide (CID 2979650) is N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]furan-2-carboxamide is O=C(NCc1ccc(-c2nc3ccccc3s2)cc1)c1ccco1.
What is the InChIKey of N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]furan-2-carboxamide?
The InChIKey is STNUUELXYLFSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S/c22-18(16-5-3-11-23-16)20-12-13-7-9-14(10-8-13)19-21-15-4-1-2-6-17(15)24-19/h1-11H,12H2,(H,20,22).
What are the key properties of N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]furan-2-carboxamide?
N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]furan-2-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 2979650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).