N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide

C12H12N2O2S — CID 863482

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
SMILESCOc1ccc2nc(NC(=O)C3CC3)sc2c1
InChIInChI=1S/C12H12N2O2S/c1-16-8-4-5-9-10(6-8)17-12(13-9)14-11(15)7-2-3-7/h4-7H,2-3H2,1H3,(H,13,14,15)
InChIKeyTYZQOTDNVBPGAW-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.65
Rot. Bonds3

About N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide

N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide (PubChem CID 863482) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
PubChem CID863482
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
SMILESCOc1ccc2nc(NC(=O)C3CC3)sc2c1
InChIInChI=1S/C12H12N2O2S/c1-16-8-4-5-9-10(6-8)17-12(13-9)14-11(15)7-2-3-7/h4-7H,2-3H2,1H3,(H,13,14,15)
InChIKeyTYZQOTDNVBPGAW-UHFFFAOYSA-N
XLogP2.65
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methoxy-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
CID 739502
3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119669339
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
1-(4-chlorobenzoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 17119260
N-(6-methoxy-1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide
CID 60521447
N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]cyclopropanecarboxamide
CID 57393591
trans-(1S,2S)-2-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate
CID 6974913
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
N-[(2R)-1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 42185897
N-[(2S)-1-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 42185894
4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
CID 5322924
(1R,2R,3R,4R)-3-[(6-methoxy-1,3-benzothiazol-2-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 100700024

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide (CID 863482) is N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide is COc1ccc2nc(NC(=O)C3CC3)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide?
The InChIKey is TYZQOTDNVBPGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-16-8-4-5-9-10(6-8)17-12(13-9)14-11(15)7-2-3-7/h4-7H,2-3H2,1H3,(H,13,14,15).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide has a molecular weight of 248.31 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide is sourced from PubChem (CID 863482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).