N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]formamide

C15H12N2O2S — CID 57381913

IUPACN-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]formamide
SMILESCOc1ccc2nc(-c3ccc(NC=O)cc3)sc2c1
InChIInChI=1S/C15H12N2O2S/c1-19-12-6-7-13-14(8-12)20-15(17-13)10-2-4-11(5-3-10)16-9-18/h2-9H,1H3,(H,16,18)
InChIKeyVBMGELKOIODPNQ-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.54
Rot. Bonds4

About N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]formamide

N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]formamide (PubChem CID 57381913) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]formamide.

Molecular Properties

Compound NameN-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]formamide
PubChem CID57381913
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC NameN-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]formamide
SMILESCOc1ccc2nc(-c3ccc(NC=O)cc3)sc2c1
InChIInChI=1S/C15H12N2O2S/c1-19-12-6-7-13-14(8-12)20-15(17-13)10-2-4-11(5-3-10)16-9-18/h2-9H,1H3,(H,16,18)
InChIKeyVBMGELKOIODPNQ-UHFFFAOYSA-N
XLogP3.54
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 46845966
2-(4-tert-butylphenyl)-6-methoxy-1,3-benzothiazole
CID 101474681
N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]cyclopropanecarboxamide
CID 57393591
6-methoxy-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 11255311
2,2,2-trifluoro-N-[4-[(E)-2-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]ethenyl]phenyl]acetamide
CID 88927311
2-(4-methoxyphenyl)-6-methyl-1,3-benzothiazole
CID 12939261
2-[4-(4-ethoxyphenyl)phenyl]-6-methoxy-1,3-benzothiazole
CID 146253203
6-methoxy-2-[4-[10-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3-benzothiazole
CID 22960185
1-(4-methoxyphenyl)-3-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]urea
CID 3635740
2,6-bis(4-methoxyphenyl)-[1,3]thiazolo[4,5-f][1,3]benzothiazole
CID 58983612
2-chloro-N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide
CID 46392689
3-chloro-6-methoxy-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 4514238

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]formamide?
The IUPAC name of N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]formamide (CID 57381913) is N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]formamide.
What is the SMILES notation for N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]formamide?
The canonical SMILES for N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]formamide is COc1ccc2nc(-c3ccc(NC=O)cc3)sc2c1.
What is the InChIKey of N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]formamide?
The InChIKey is VBMGELKOIODPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-19-12-6-7-13-14(8-12)20-15(17-13)10-2-4-11(5-3-10)16-9-18/h2-9H,1H3,(H,16,18).
What are the key properties of N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]formamide?
N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]formamide has a molecular weight of 284.34 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]formamide is sourced from PubChem (CID 57381913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).