N-[(3R)-1-ethylpiperidin-3-yl]-1,3-benzothiazol-2-amine

C14H19N3S — CID 51983203

IUPACN-[(3R)-1-ethylpiperidin-3-yl]-1,3-benzothiazol-2-amine
SMILESCCN1CCC[C@@H](Nc2nc3ccccc3s2)C1
InChIInChI=1S/C14H19N3S/c1-2-17-9-5-6-11(10-17)15-14-16-12-7-3-4-8-13(12)18-14/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,15,16)/t11-/m1/s1
InChIKeyFMHOVBNOQUQOEE-LLVKDONJSA-N
MW261.39 g/mol
LogP3.19
Rot. Bonds3

About N-[(3R)-1-ethylpiperidin-3-yl]-1,3-benzothiazol-2-amine

N-[(3R)-1-ethylpiperidin-3-yl]-1,3-benzothiazol-2-amine (PubChem CID 51983203) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[(3R)-1-ethylpiperidin-3-yl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[(3R)-1-ethylpiperidin-3-yl]-1,3-benzothiazol-2-amine
PubChem CID51983203
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-[(3R)-1-ethylpiperidin-3-yl]-1,3-benzothiazol-2-amine
SMILESCCN1CCC[C@@H](Nc2nc3ccccc3s2)C1
InChIInChI=1S/C14H19N3S/c1-2-17-9-5-6-11(10-17)15-14-16-12-7-3-4-8-13(12)18-14/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,15,16)/t11-/m1/s1
InChIKeyFMHOVBNOQUQOEE-LLVKDONJSA-N
XLogP3.19
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,3-benzothiazol-2-amine
CID 133330150
ethyl (3S)-3-(1,3-benzothiazol-2-ylamino)azepane-1-carboxylate
CID 96578679
N-(1-cyclopropylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine
CID 47807742
N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 43317154
N-(1-ethylpiperidin-3-yl)-4-methylquinolin-2-amine
CID 122561309
3-(1,3-benzothiazol-2-yl)-N-[[(3R)-1-ethylpiperidin-3-yl]methyl]propanamide
CID 94810927
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine
CID 133347839
N-cyclopent-3-en-1-yl-1,3-benzothiazol-2-amine
CID 115695581
N-(3-butan-2-ylcyclobutyl)-1,3-benzothiazol-2-amine
CID 123863996
N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,3-benzothiazol-2-amine
CID 24740748
N-[(3S)-1-ethylpiperidin-3-yl]benzo[g]quinolin-4-amine
CID 6962816
N-(1-ethylpiperidin-3-yl)-5,6-dimethylpyrazin-2-amine
CID 114475474

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-ethylpiperidin-3-yl]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[(3R)-1-ethylpiperidin-3-yl]-1,3-benzothiazol-2-amine (CID 51983203) is N-[(3R)-1-ethylpiperidin-3-yl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[(3R)-1-ethylpiperidin-3-yl]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[(3R)-1-ethylpiperidin-3-yl]-1,3-benzothiazol-2-amine is CCN1CCC[C@@H](Nc2nc3ccccc3s2)C1.
What is the InChIKey of N-[(3R)-1-ethylpiperidin-3-yl]-1,3-benzothiazol-2-amine?
The InChIKey is FMHOVBNOQUQOEE-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N3S/c1-2-17-9-5-6-11(10-17)15-14-16-12-7-3-4-8-13(12)18-14/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,15,16)/t11-/m1/s1.
What are the key properties of N-[(3R)-1-ethylpiperidin-3-yl]-1,3-benzothiazol-2-amine?
N-[(3R)-1-ethylpiperidin-3-yl]-1,3-benzothiazol-2-amine has a molecular weight of 261.39 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-ethylpiperidin-3-yl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 51983203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).