N-(4-methoxy-1,3-benzothiazol-2-yl)-1H-pyrrole-2-carboxamide

C13H11N3O2S — CID 110461136

IUPACN-(4-methoxy-1,3-benzothiazol-2-yl)-1H-pyrrole-2-carboxamide
SMILESCOc1cccc2sc(NC(=O)c3ccc[nH]3)nc12
InChIInChI=1S/C13H11N3O2S/c1-18-9-5-2-6-10-11(9)15-13(19-10)16-12(17)8-4-3-7-14-8/h2-7,14H,1H3,(H,15,16,17)
InChIKeyBUBCQVWLFWESLB-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.89
Rot. Bonds3

About N-(4-methoxy-1,3-benzothiazol-2-yl)-1H-pyrrole-2-carboxamide

N-(4-methoxy-1,3-benzothiazol-2-yl)-1H-pyrrole-2-carboxamide (PubChem CID 110461136) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is N-(4-methoxy-1,3-benzothiazol-2-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-1,3-benzothiazol-2-yl)-1H-pyrrole-2-carboxamide
PubChem CID110461136
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC NameN-(4-methoxy-1,3-benzothiazol-2-yl)-1H-pyrrole-2-carboxamide
SMILESCOc1cccc2sc(NC(=O)c3ccc[nH]3)nc12
InChIInChI=1S/C13H11N3O2S/c1-18-9-5-2-6-10-11(9)15-13(19-10)16-12(17)8-4-3-7-14-8/h2-7,14H,1H3,(H,15,16,17)
InChIKeyBUBCQVWLFWESLB-UHFFFAOYSA-N
XLogP2.89
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-methoxy-1,3-benzothiazol-2-yl)benzene-1,4-dicarboxamide
CID 78797293
N-(4-methoxy-1,3-benzothiazol-2-yl)-4-methylsulfinylbenzamide
CID 78797294
(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 22283036
2-benzamido-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 35871813
methyl 2-[(4-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 43952140
4-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105534
N-(4-methoxy-1,3-benzothiazol-2-yl)quinoxaline-2-carboxamide
CID 17432386
N-(4-methoxy-1,3-benzothiazol-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 17444658
2,6-difluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105549
N-(4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 43952131
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 19214365
N-(4-methoxy-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 43952233

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-1,3-benzothiazol-2-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(4-methoxy-1,3-benzothiazol-2-yl)-1H-pyrrole-2-carboxamide (CID 110461136) is N-(4-methoxy-1,3-benzothiazol-2-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(4-methoxy-1,3-benzothiazol-2-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(4-methoxy-1,3-benzothiazol-2-yl)-1H-pyrrole-2-carboxamide is COc1cccc2sc(NC(=O)c3ccc[nH]3)nc12.
What is the InChIKey of N-(4-methoxy-1,3-benzothiazol-2-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is BUBCQVWLFWESLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c1-18-9-5-2-6-10-11(9)15-13(19-10)16-12(17)8-4-3-7-14-8/h2-7,14H,1H3,(H,15,16,17).
What are the key properties of N-(4-methoxy-1,3-benzothiazol-2-yl)-1H-pyrrole-2-carboxamide?
N-(4-methoxy-1,3-benzothiazol-2-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 273.32 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-1,3-benzothiazol-2-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 110461136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).