N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]furan-2-carboxamide

C19H14N2O2S — CID 744709

IUPACN-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccco1
InChIInChI=1S/C19H14N2O2S/c1-12-8-9-13(19-21-14-5-2-3-7-17(14)24-19)11-15(12)20-18(22)16-6-4-10-23-16/h2-11H,1H3,(H,20,22)
InChIKeyYVMHMDVVQAMVPJ-UHFFFAOYSA-N
MW334.40 g/mol
LogP5.12
Rot. Bonds3

About N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]furan-2-carboxamide

N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]furan-2-carboxamide (PubChem CID 744709) has the molecular formula C19H14N2O2S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]furan-2-carboxamide
PubChem CID744709
Molecular FormulaC19H14N2O2S
Molecular Weight334.40 g/mol
Exact Mass334.08
IUPAC NameN-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccco1
InChIInChI=1S/C19H14N2O2S/c1-12-8-9-13(19-21-14-5-2-3-7-17(14)24-19)11-15(12)20-18(22)16-6-4-10-23-16/h2-11H,1H3,(H,20,22)
InChIKeyYVMHMDVVQAMVPJ-UHFFFAOYSA-N
XLogP5.12
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.40
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]furan-2-carboxamide (CID 744709) is N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]furan-2-carboxamide is Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]furan-2-carboxamide?
The InChIKey is YVMHMDVVQAMVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S/c1-12-8-9-13(19-21-14-5-2-3-7-17(14)24-19)11-15(12)20-18(22)16-6-4-10-23-16/h2-11H,1H3,(H,20,22).
What are the key properties of N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]furan-2-carboxamide?
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]furan-2-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 744709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).