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

C22H18N2O2S — CID 979778

IUPACN-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)cc2)cc1
InChIInChI=1S/C22H18N2O2S/c1-26-18-12-10-16(11-13-18)21(25)23-14-15-6-8-17(9-7-15)22-24-19-4-2-3-5-20(19)27-22/h2-13H,14H2,1H3,(H,23,25)
InChIKeyRZKCAHLNOXOGSP-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.90
Rot. Bonds5

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

N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-4-methoxybenzamide (PubChem CID 979778) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-4-methoxybenzamide
PubChem CID979778
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC NameN-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)cc2)cc1
InChIInChI=1S/C22H18N2O2S/c1-26-18-12-10-16(11-13-18)21(25)23-14-15-6-8-17(9-7-15)22-24-19-4-2-3-5-20(19)27-22/h2-13H,14H2,1H3,(H,23,25)
InChIKeyRZKCAHLNOXOGSP-UHFFFAOYSA-N
XLogP4.90
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.90
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]-4-methoxybenzamide?
The IUPAC name of N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-4-methoxybenzamide (CID 979778) is N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-4-methoxybenzamide.
What is the SMILES notation for N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-4-methoxybenzamide?
The canonical SMILES for N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)cc2)cc1.
What is the InChIKey of N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-4-methoxybenzamide?
The InChIKey is RZKCAHLNOXOGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c1-26-18-12-10-16(11-13-18)21(25)23-14-15-6-8-17(9-7-15)22-24-19-4-2-3-5-20(19)27-22/h2-13H,14H2,1H3,(H,23,25).
What are the key properties of N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-4-methoxybenzamide?
N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-4-methoxybenzamide has a molecular weight of 374.47 g/mol, XLogP of 4.90, 5 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]-4-methoxybenzamide is sourced from PubChem (CID 979778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).