N-(1,3-benzothiazol-2-ylmethyl)cyclopropanecarboxamide

C12H12N2OS — CID 18110639

IUPACN-(1,3-benzothiazol-2-ylmethyl)cyclopropanecarboxamide
SMILESO=C(NCc1nc2ccccc2s1)C1CC1
InChIInChI=1S/C12H12N2OS/c15-12(8-5-6-8)13-7-11-14-9-3-1-2-4-10(9)16-11/h1-4,8H,5-7H2,(H,13,15)
InChIKeyJLDKVOXNYFYMAT-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.32
Rot. Bonds3

About N-(1,3-benzothiazol-2-ylmethyl)cyclopropanecarboxamide

N-(1,3-benzothiazol-2-ylmethyl)cyclopropanecarboxamide (PubChem CID 18110639) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)cyclopropanecarboxamide
PubChem CID18110639
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)cyclopropanecarboxamide
SMILESO=C(NCc1nc2ccccc2s1)C1CC1
InChIInChI=1S/C12H12N2OS/c15-12(8-5-6-8)13-7-11-14-9-3-1-2-4-10(9)16-11/h1-4,8H,5-7H2,(H,13,15)
InChIKeyJLDKVOXNYFYMAT-UHFFFAOYSA-N
XLogP2.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119269748
N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxycyclopentane-1-carboxamide
CID 110013892
tert-butyl 4-(1,3-benzothiazol-2-ylmethylcarbamoyl)piperidine-1-carboxylate
CID 38284389
N-(1,3-benzothiazol-2-ylmethyl)-2,2-dichlorocyclopropane-1-carboxamide
CID 78778260
2-(1,3-benzothiazol-2-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 54867516
(2R)-N-(1,3-benzothiazol-2-ylmethyl)piperidine-2-carboxamide
CID 103808102
N-(1,3-benzothiazol-2-ylmethyl)-3-(cyclopropanecarbonylamino)benzamide
CID 38135778
N-(1,3-benzothiazol-2-ylmethyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 39703925
N-[2-(1,3-benzothiazol-2-yl)ethyl]oxane-4-carboxamide
CID 51207996
N-(1,3-benzothiazol-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 61248397
(2S,5R)-5-(aminomethyl)-N-(1,3-benzothiazol-2-ylmethyl)oxolane-2-carboxamide
CID 120784128
1-N-(1,3-benzothiazol-2-ylmethyl)-4-N-phenylpiperidine-1,4-dicarboxamide
CID 36900031

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)cyclopropanecarboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)cyclopropanecarboxamide (CID 18110639) is N-(1,3-benzothiazol-2-ylmethyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)cyclopropanecarboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)cyclopropanecarboxamide is O=C(NCc1nc2ccccc2s1)C1CC1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)cyclopropanecarboxamide?
The InChIKey is JLDKVOXNYFYMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c15-12(8-5-6-8)13-7-11-14-9-3-1-2-4-10(9)16-11/h1-4,8H,5-7H2,(H,13,15).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)cyclopropanecarboxamide?
N-(1,3-benzothiazol-2-ylmethyl)cyclopropanecarboxamide has a molecular weight of 232.31 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)cyclopropanecarboxamide is sourced from PubChem (CID 18110639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).