N-[3-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-2-methylbenzamide

C19H19N3O3S — CID 46616277

IUPACN-[3-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-2-methylbenzamide
SMILESCOc1cccc2sc(NC(=O)CCNC(=O)c3ccccc3C)nc12
InChIInChI=1S/C19H19N3O3S/c1-12-6-3-4-7-13(12)18(24)20-11-10-16(23)21-19-22-17-14(25-2)8-5-9-15(17)26-19/h3-9H,10-11H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyMBURPGCOIHEWJX-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.37
Rot. Bonds6

About N-[3-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-2-methylbenzamide

N-[3-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-2-methylbenzamide (PubChem CID 46616277) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[3-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-2-methylbenzamide
PubChem CID46616277
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-[3-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-2-methylbenzamide
SMILESCOc1cccc2sc(NC(=O)CCNC(=O)c3ccccc3C)nc12
InChIInChI=1S/C19H19N3O3S/c1-12-6-3-4-7-13(12)18(24)20-11-10-16(23)21-19-22-17-14(25-2)8-5-9-15(17)26-19/h3-9H,10-11H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyMBURPGCOIHEWJX-UHFFFAOYSA-N
XLogP3.37
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,6-dimethylphenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 19217838
3-(cyclohexylcarbamoylamino)-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 24627533
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 19214365
methyl 2-[(4-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 43952140
N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-methylbenzamide
CID 44896729
N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 19218417
3-[(2-bromophenyl)sulfonylamino]-N-(4-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 24564599
5-(diethylsulfamoyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-methylbenzamide
CID 46813269
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 5139354
4-(2-methoxy-5-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxobutanamide
CID 108796089
2-methoxy-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
CID 24685535
N-[3-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2-methylbenzamide
CID 26723816

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-2-methylbenzamide?
The IUPAC name of N-[3-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-2-methylbenzamide (CID 46616277) is N-[3-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-2-methylbenzamide?
The canonical SMILES for N-[3-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-2-methylbenzamide is COc1cccc2sc(NC(=O)CCNC(=O)c3ccccc3C)nc12.
What is the InChIKey of N-[3-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-2-methylbenzamide?
The InChIKey is MBURPGCOIHEWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-12-6-3-4-7-13(12)18(24)20-11-10-16(23)21-19-22-17-14(25-2)8-5-9-15(17)26-19/h3-9H,10-11H2,1-2H3,(H,20,24)(H,21,22,23).
What are the key properties of N-[3-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-2-methylbenzamide?
N-[3-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-2-methylbenzamide has a molecular weight of 369.45 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-2-methylbenzamide is sourced from PubChem (CID 46616277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).