N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide

C23H20N2O2S — CID 2067664

IUPACN-[2-(1,3-benzothiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1
InChIInChI=1S/C23H20N2O2S/c1-15(2)27-17-13-11-16(12-14-17)22(26)24-19-8-4-3-7-18(19)23-25-20-9-5-6-10-21(20)28-23/h3-15H,1-2H3,(H,24,26)
InChIKeyWLIZGAPIEQVHRP-UHFFFAOYSA-N
MW388.49 g/mol
LogP6.00
Rot. Bonds5

About N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide

N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide (PubChem CID 2067664) has the molecular formula C23H20N2O2S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide
PubChem CID2067664
Molecular FormulaC23H20N2O2S
Molecular Weight388.49 g/mol
Exact Mass388.12
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1
InChIInChI=1S/C23H20N2O2S/c1-15(2)27-17-13-11-16(12-14-17)22(26)24-19-8-4-3-7-18(19)23-25-20-9-5-6-10-21(20)28-23/h3-15H,1-2H3,(H,24,26)
InChIKeyWLIZGAPIEQVHRP-UHFFFAOYSA-N
XLogP6.00
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 3248575
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-(trifluoromethoxy)benzamide
CID 16549827
4-acetamido-N-[2-(1,3-benzothiazol-2-yl)phenyl]benzamide
CID 26181585
N-(1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide
CID 833754
N-[2-(1,3-benzothiazol-2-yl)phenyl]naphthalene-2-carboxamide
CID 3839053
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-bromobenzamide
CID 2067806
N-[2-(1,3-benzothiazol-2-yl)-4-methoxyphenyl]-4-methylbenzamide
CID 170058376
N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-[(2R)-butan-2-yl]oxybenzamide
CID 40634821
4-amino-N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-methylbenzamide
CID 123563775
N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-(2-methylpropoxy)benzamide
CID 4502426
N-[[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 17104261
N-[4-(1,3-benzothiazol-2-yl)-3-hydroxyphenyl]-4-methoxybenzamide
CID 1104009

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide (CID 2067664) is N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide?
The InChIKey is WLIZGAPIEQVHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S/c1-15(2)27-17-13-11-16(12-14-17)22(26)24-19-8-4-3-7-18(19)23-25-20-9-5-6-10-21(20)28-23/h3-15H,1-2H3,(H,24,26).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide?
N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide has a molecular weight of 388.49 g/mol, XLogP of 6.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 2067664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).