N-(1-piperidin-1-ylpropan-2-yl)-1,3-benzothiazol-2-amine

C15H21N3S — CID 54937957

IUPACN-(1-piperidin-1-ylpropan-2-yl)-1,3-benzothiazol-2-amine
SMILESCC(CN1CCCCC1)Nc1nc2ccccc2s1
InChIInChI=1S/C15H21N3S/c1-12(11-18-9-5-2-6-10-18)16-15-17-13-7-3-4-8-14(13)19-15/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,16,17)
InChIKeyFKMDFAOYUGNJPD-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.58
Rot. Bonds4

About N-(1-piperidin-1-ylpropan-2-yl)-1,3-benzothiazol-2-amine

N-(1-piperidin-1-ylpropan-2-yl)-1,3-benzothiazol-2-amine (PubChem CID 54937957) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-(1-piperidin-1-ylpropan-2-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(1-piperidin-1-ylpropan-2-yl)-1,3-benzothiazol-2-amine
PubChem CID54937957
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-(1-piperidin-1-ylpropan-2-yl)-1,3-benzothiazol-2-amine
SMILESCC(CN1CCCCC1)Nc1nc2ccccc2s1
InChIInChI=1S/C15H21N3S/c1-12(11-18-9-5-2-6-10-18)16-15-17-13-7-3-4-8-14(13)19-15/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,16,17)
InChIKeyFKMDFAOYUGNJPD-UHFFFAOYSA-N
XLogP3.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-3-piperidin-1-ylpropyl)-1,3-benzothiazol-2-amine
CID 47283339
6-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3-benzothiazol-2-amine
CID 79526067
N-butan-2-yl-1,3-benzothiazol-2-amine
CID 591708
N-(4-methylpentan-2-yl)-1,3-benzothiazol-2-amine
CID 43372307
N-(1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide
CID 788494
1-(1,3-benzothiazol-2-yl)-3-(1-morpholin-4-ylpropan-2-yl)urea
CID 51080589
N-(3-pyrrolidin-1-ylpropyl)-1,3-benzothiazol-2-amine
CID 60666991
N-[(1S)-1-phenylethyl]-1,3-benzothiazol-2-amine
CID 28533165
2-(1,3-benzothiazol-2-ylamino)-3-methylbutan-1-ol
CID 79246244
N-[1-(4-bromophenyl)ethyl]-1,3-benzothiazol-2-amine
CID 60658936
5-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-benzothiazol-2-amine
CID 62992189
2-(1,3-benzothiazol-2-ylamino)-1-pyrrolidin-1-ylethanone
CID 112683781

Frequently Asked Questions

What is the IUPAC name of N-(1-piperidin-1-ylpropan-2-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-(1-piperidin-1-ylpropan-2-yl)-1,3-benzothiazol-2-amine (CID 54937957) is N-(1-piperidin-1-ylpropan-2-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(1-piperidin-1-ylpropan-2-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(1-piperidin-1-ylpropan-2-yl)-1,3-benzothiazol-2-amine is CC(CN1CCCCC1)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1-piperidin-1-ylpropan-2-yl)-1,3-benzothiazol-2-amine?
The InChIKey is FKMDFAOYUGNJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-12(11-18-9-5-2-6-10-18)16-15-17-13-7-3-4-8-14(13)19-15/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H,16,17).
What are the key properties of N-(1-piperidin-1-ylpropan-2-yl)-1,3-benzothiazol-2-amine?
N-(1-piperidin-1-ylpropan-2-yl)-1,3-benzothiazol-2-amine has a molecular weight of 275.42 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-piperidin-1-ylpropan-2-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 54937957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).