N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]cyclopropanecarboxamide

C17H21N3O2S — CID 163346079

IUPACN-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]cyclopropanecarboxamide
SMILESCOc1ccc2sc(N3CCCC(NC(=O)C4CC4)C3)nc2c1
InChIInChI=1S/C17H21N3O2S/c1-22-13-6-7-15-14(9-13)19-17(23-15)20-8-2-3-12(10-20)18-16(21)11-4-5-11/h6-7,9,11-12H,2-5,8,10H2,1H3,(H,18,21)
InChIKeyFWRXVNUJTAORGM-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.80
Rot. Bonds4

About N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]cyclopropanecarboxamide

N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]cyclopropanecarboxamide (PubChem CID 163346079) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]cyclopropanecarboxamide
PubChem CID163346079
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]cyclopropanecarboxamide
SMILESCOc1ccc2sc(N3CCCC(NC(=O)C4CC4)C3)nc2c1
InChIInChI=1S/C17H21N3O2S/c1-22-13-6-7-15-14(9-13)19-17(23-15)20-8-2-3-12(10-20)18-16(21)11-4-5-11/h6-7,9,11-12H,2-5,8,10H2,1H3,(H,18,21)
InChIKeyFWRXVNUJTAORGM-UHFFFAOYSA-N
XLogP2.80
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 171997837
N-[5-[4-(5-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 163357177
N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide
CID 53318242
(3S)-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxylic acid
CID 94216624
N-[[4-fluoro-1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide
CID 165433363
N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methylmorpholine-4-carboxamide
CID 172892330
N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-N-methylcyclopropanecarboxamide
CID 171328851
4-(5-methoxy-1,3-benzothiazol-2-yl)-N-methylmorpholine-2-carboxamide
CID 166602705
1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)azetidine-3-carboxamide
CID 121128799
N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide
CID 171335662
1-(5-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide
CID 121128800
1-(5-methoxy-1,3-benzothiazol-2-yl)-N-prop-2-enylazetidine-3-carboxamide
CID 121128670

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]cyclopropanecarboxamide (CID 163346079) is N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]cyclopropanecarboxamide is COc1ccc2sc(N3CCCC(NC(=O)C4CC4)C3)nc2c1.
What is the InChIKey of N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]cyclopropanecarboxamide?
The InChIKey is FWRXVNUJTAORGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-22-13-6-7-15-14(9-13)19-17(23-15)20-8-2-3-12(10-20)18-16(21)11-4-5-11/h6-7,9,11-12H,2-5,8,10H2,1H3,(H,18,21).
What are the key properties of N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]cyclopropanecarboxamide?
N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]cyclopropanecarboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 163346079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).