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

C17H16N2O2S — CID 833754

IUPACN-(1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2nc3ccccc3s2)cc1
InChIInChI=1S/C17H16N2O2S/c1-11(2)21-13-9-7-12(8-10-13)16(20)19-17-18-14-5-3-4-6-15(14)22-17/h3-11H,1-2H3,(H,18,19,20)
InChIKeyNQWFLMVHFIXZCB-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.34
Rot. Bonds4

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

N-(1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide (PubChem CID 833754) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide
PubChem CID833754
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2nc3ccccc3s2)cc1
InChIInChI=1S/C17H16N2O2S/c1-11(2)21-13-9-7-12(8-10-13)16(20)19-17-18-14-5-3-4-6-15(14)22-17/h3-11H,1-2H3,(H,18,19,20)
InChIKeyNQWFLMVHFIXZCB-UHFFFAOYSA-N
XLogP4.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-propan-2-yloxybenzamide
CID 2067664
N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide
CID 7615219
N-(1,3-benzothiazol-2-yl)-4-propan-2-ylsulfanylbenzamide
CID 8701123
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-propan-2-yloxybenzamide
CID 54858442
N-(1,3-benzothiazol-2-yl)-5-chloro-6-propan-2-yloxypyridine-3-carboxamide
CID 52687935
methyl 2-[(3-propan-2-yloxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 17128823
N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzamide
CID 31154524
N-(1,3-benzothiazol-2-yl)-4-(bromomethyl)benzamide
CID 102850815
N-[6-[ethyl(methyl)sulfamoyl]-1,3-benzothiazol-2-yl]-4-propan-2-yloxybenzamide
CID 4120437
N-(1,3-benzothiazol-2-yl)-4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]benzamide
CID 35271562
N-(1,3-benzothiazol-2-yl)-6-methoxypyridine-3-carboxamide
CID 17476486
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide (CID 833754) is N-(1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)Nc2nc3ccccc3s2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide?
The InChIKey is NQWFLMVHFIXZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-11(2)21-13-9-7-12(8-10-13)16(20)19-17-18-14-5-3-4-6-15(14)22-17/h3-11H,1-2H3,(H,18,19,20).
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide?
N-(1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide has a molecular weight of 312.39 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 833754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).