N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide

C13H14N2O3S — CID 2150738

IUPACN-(4,7-dimethoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
SMILESCOc1ccc(OC)c2sc(NC(=O)C3CC3)nc12
InChIInChI=1S/C13H14N2O3S/c1-17-8-5-6-9(18-2)11-10(8)14-13(19-11)15-12(16)7-3-4-7/h5-7H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyQGTRBRAEHMCVPN-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.66
Rot. Bonds4

About N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide

N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide (PubChem CID 2150738) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(4,7-dimethoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
PubChem CID2150738
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC NameN-(4,7-dimethoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
SMILESCOc1ccc(OC)c2sc(NC(=O)C3CC3)nc12
InChIInChI=1S/C13H14N2O3S/c1-17-8-5-6-9(18-2)11-10(8)14-13(19-11)15-12(16)7-3-4-7/h5-7H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyQGTRBRAEHMCVPN-UHFFFAOYSA-N
XLogP2.66
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 43994655
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 16830561
N-(4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 43952131
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 16829248
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CID 7172907
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide
CID 7192494
N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119271366
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16828534
N-[5-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 82342338
1-cyclopentyl-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea
CID 56592932
1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)urea
CID 121082501
1-(2,2-dimethylpropanoyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 51284534

Frequently Asked Questions

What is the IUPAC name of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide?
The IUPAC name of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide (CID 2150738) is N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide is COc1ccc(OC)c2sc(NC(=O)C3CC3)nc12.
What is the InChIKey of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide?
The InChIKey is QGTRBRAEHMCVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-17-8-5-6-9(18-2)11-10(8)14-13(19-11)15-12(16)7-3-4-7/h5-7H,3-4H2,1-2H3,(H,14,15,16).
What are the key properties of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide?
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide has a molecular weight of 278.33 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide is sourced from PubChem (CID 2150738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).