N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxycyclopentane-1-carboxamide

C14H16N2O2S — CID 110013892

IUPACN-(1,3-benzothiazol-2-ylmethyl)-2-hydroxycyclopentane-1-carboxamide
SMILESO=C(NCc1nc2ccccc2s1)C1CCCC1O
InChIInChI=1S/C14H16N2O2S/c17-11-6-3-4-9(11)14(18)15-8-13-16-10-5-1-2-7-12(10)19-13/h1-2,5,7,9,11,17H,3-4,6,8H2,(H,15,18)
InChIKeyPRRVPIHEOVMYDO-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.07
Rot. Bonds3

About N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxycyclopentane-1-carboxamide

N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxycyclopentane-1-carboxamide (PubChem CID 110013892) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-2-hydroxycyclopentane-1-carboxamide
PubChem CID110013892
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-2-hydroxycyclopentane-1-carboxamide
SMILESO=C(NCc1nc2ccccc2s1)C1CCCC1O
InChIInChI=1S/C14H16N2O2S/c17-11-6-3-4-9(11)14(18)15-8-13-16-10-5-1-2-7-12(10)19-13/h1-2,5,7,9,11,17H,3-4,6,8H2,(H,15,18)
InChIKeyPRRVPIHEOVMYDO-UHFFFAOYSA-N
XLogP2.07
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)cyclopropanecarboxamide
CID 18110639
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)-4-(methylamino)oxolane-3-carboxamide
CID 66266629
N-(1,3-benzothiazol-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119269748
N-(1,3-benzothiazol-2-ylmethyl)-2,2-dichlorocyclopropane-1-carboxamide
CID 78778260
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-hydroxycyclopentyl)methanone
CID 110015097
1-amino-N-(1,3-benzothiazol-2-ylmethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119686687
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110016053
N-(1,3-benzothiazol-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 61248397
N-(1,3-benzothiazol-2-ylmethyl)-3-cyclohexylpropanamide
CID 43003046
(2S,5R)-5-(aminomethyl)-N-(1,3-benzothiazol-2-ylmethyl)oxolane-2-carboxamide
CID 120784128

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxycyclopentane-1-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxycyclopentane-1-carboxamide (CID 110013892) is N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxycyclopentane-1-carboxamide is O=C(NCc1nc2ccccc2s1)C1CCCC1O.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxycyclopentane-1-carboxamide?
The InChIKey is PRRVPIHEOVMYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c17-11-6-3-4-9(11)14(18)15-8-13-16-10-5-1-2-7-12(10)19-13/h1-2,5,7,9,11,17H,3-4,6,8H2,(H,15,18).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxycyclopentane-1-carboxamide?
N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxycyclopentane-1-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 110013892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).