N-[4-methoxy-2-(propanoylamino)-1,3-benzothiazol-6-yl]cyclohexanecarboxamide

C18H23N3O3S — CID 46291026

IUPACN-[4-methoxy-2-(propanoylamino)-1,3-benzothiazol-6-yl]cyclohexanecarboxamide
SMILESCCC(=O)Nc1nc2c(OC)cc(NC(=O)C3CCCCC3)cc2s1
InChIInChI=1S/C18H23N3O3S/c1-3-15(22)20-18-21-16-13(24-2)9-12(10-14(16)25-18)19-17(23)11-7-5-4-6-8-11/h9-11H,3-8H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyIOIAPZUAJLIZDE-UHFFFAOYSA-N
MW361.47 g/mol
LogP4.17
Rot. Bonds5

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

N-[4-methoxy-2-(propanoylamino)-1,3-benzothiazol-6-yl]cyclohexanecarboxamide (PubChem CID 46291026) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[4-methoxy-2-(propanoylamino)-1,3-benzothiazol-6-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-methoxy-2-(propanoylamino)-1,3-benzothiazol-6-yl]cyclohexanecarboxamide
PubChem CID46291026
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-[4-methoxy-2-(propanoylamino)-1,3-benzothiazol-6-yl]cyclohexanecarboxamide
SMILESCCC(=O)Nc1nc2c(OC)cc(NC(=O)C3CCCCC3)cc2s1
InChIInChI=1S/C18H23N3O3S/c1-3-15(22)20-18-21-16-13(24-2)9-12(10-14(16)25-18)19-17(23)11-7-5-4-6-8-11/h9-11H,3-8H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyIOIAPZUAJLIZDE-UHFFFAOYSA-N
XLogP4.17
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-methoxy-2-(propanoylamino)-1,3-benzothiazol-6-yl]cyclohexanecarboxamide 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-[6-(butan-2-ylcarbamoylamino)-4-methoxy-1,3-benzothiazol-2-yl]propanamide
CID 46325998
N-[4-[[4-methoxy-2-(propanoylamino)-1,3-benzothiazol-6-yl]sulfamoyl]phenyl]propanamide
CID 46325654
N-(4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 43952131
N-[6-(1,3-benzodioxol-5-ylcarbamoylamino)-4-methoxy-1,3-benzothiazol-2-yl]propanamide
CID 46325992
N-[4-methoxy-6-[(4-propan-2-ylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide
CID 46325650
N-(3,4,5-trimethoxyphenyl)cyclopentanecarboxamide
CID 7741672
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 2150738
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
CID 739502
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 43994655
N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119271366
ethyl 2-[(2-acetamido-4-methoxy-1,3-benzothiazol-6-yl)carbamoylamino]acetate
CID 46326034
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 43989202

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-2-(propanoylamino)-1,3-benzothiazol-6-yl]cyclohexanecarboxamide?
The IUPAC name of N-[4-methoxy-2-(propanoylamino)-1,3-benzothiazol-6-yl]cyclohexanecarboxamide (CID 46291026) is N-[4-methoxy-2-(propanoylamino)-1,3-benzothiazol-6-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-methoxy-2-(propanoylamino)-1,3-benzothiazol-6-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-methoxy-2-(propanoylamino)-1,3-benzothiazol-6-yl]cyclohexanecarboxamide is CCC(=O)Nc1nc2c(OC)cc(NC(=O)C3CCCCC3)cc2s1.
What is the InChIKey of N-[4-methoxy-2-(propanoylamino)-1,3-benzothiazol-6-yl]cyclohexanecarboxamide?
The InChIKey is IOIAPZUAJLIZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-3-15(22)20-18-21-16-13(24-2)9-12(10-14(16)25-18)19-17(23)11-7-5-4-6-8-11/h9-11H,3-8H2,1-2H3,(H,19,23)(H,20,21,22).
What are the key properties of N-[4-methoxy-2-(propanoylamino)-1,3-benzothiazol-6-yl]cyclohexanecarboxamide?
N-[4-methoxy-2-(propanoylamino)-1,3-benzothiazol-6-yl]cyclohexanecarboxamide has a molecular weight of 361.47 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-2-(propanoylamino)-1,3-benzothiazol-6-yl]cyclohexanecarboxamide is sourced from PubChem (CID 46291026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).