5-chloro-N-(1-piperidin-2-ylpropan-2-yl)-1,3-benzothiazol-4-amine

C15H20ClN3S — CID 79548676

IUPAC5-chloro-N-(1-piperidin-2-ylpropan-2-yl)-1,3-benzothiazol-4-amine
SMILESCC(CC1CCCCN1)Nc1c(Cl)ccc2scnc12
InChIInChI=1S/C15H20ClN3S/c1-10(8-11-4-2-3-7-17-11)19-14-12(16)5-6-13-15(14)18-9-20-13/h5-6,9-11,17,19H,2-4,7-8H2,1H3
InChIKeySWABTTALFUDGJP-UHFFFAOYSA-N
MW309.87 g/mol
LogP4.28
Rot. Bonds4

About 5-chloro-N-(1-piperidin-2-ylpropan-2-yl)-1,3-benzothiazol-4-amine

5-chloro-N-(1-piperidin-2-ylpropan-2-yl)-1,3-benzothiazol-4-amine (PubChem CID 79548676) has the molecular formula C15H20ClN3S and a molecular weight of 309.87 g/mol. Its IUPAC name is 5-chloro-N-(1-piperidin-2-ylpropan-2-yl)-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name5-chloro-N-(1-piperidin-2-ylpropan-2-yl)-1,3-benzothiazol-4-amine
PubChem CID79548676
Molecular FormulaC15H20ClN3S
Molecular Weight309.87 g/mol
Exact Mass309.11
IUPAC Name5-chloro-N-(1-piperidin-2-ylpropan-2-yl)-1,3-benzothiazol-4-amine
SMILESCC(CC1CCCCN1)Nc1c(Cl)ccc2scnc12
InChIInChI=1S/C15H20ClN3S/c1-10(8-11-4-2-3-7-17-11)19-14-12(16)5-6-13-15(14)18-9-20-13/h5-6,9-11,17,19H,2-4,7-8H2,1H3
InChIKeySWABTTALFUDGJP-UHFFFAOYSA-N
XLogP4.28
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.87
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(piperidin-2-ylmethyl)-1,3-benzothiazol-4-amine
CID 106633191
5-chloro-N-(dicyclopropylmethyl)-1,3-benzothiazol-4-amine
CID 43674852
2-chloro-4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pyridin-3-amine
CID 79541327
N-[1-(azepan-2-yl)propan-2-yl]-4-chloroaniline
CID 79553516
N-[1-(azepan-2-yl)propan-2-yl]-1,3-thiazol-2-amine
CID 79559653
N-[1-(azepan-2-yl)propan-2-yl]-4-bromo-2,3-dichloroaniline
CID 107788121
3-chloro-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79549743
2,4,6-tribromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79541024
4-bromo-2,6-difluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79536255
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-5-chloro-1,3-benzothiazol-4-amine
CID 43779328
2,6-dibromo-4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540891
N-[1-(azepan-2-yl)propan-2-yl]-2-bromo-6-fluoroaniline
CID 107598571

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-piperidin-2-ylpropan-2-yl)-1,3-benzothiazol-4-amine?
The IUPAC name of 5-chloro-N-(1-piperidin-2-ylpropan-2-yl)-1,3-benzothiazol-4-amine (CID 79548676) is 5-chloro-N-(1-piperidin-2-ylpropan-2-yl)-1,3-benzothiazol-4-amine.
What is the SMILES notation for 5-chloro-N-(1-piperidin-2-ylpropan-2-yl)-1,3-benzothiazol-4-amine?
The canonical SMILES for 5-chloro-N-(1-piperidin-2-ylpropan-2-yl)-1,3-benzothiazol-4-amine is CC(CC1CCCCN1)Nc1c(Cl)ccc2scnc12.
What is the InChIKey of 5-chloro-N-(1-piperidin-2-ylpropan-2-yl)-1,3-benzothiazol-4-amine?
The InChIKey is SWABTTALFUDGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3S/c1-10(8-11-4-2-3-7-17-11)19-14-12(16)5-6-13-15(14)18-9-20-13/h5-6,9-11,17,19H,2-4,7-8H2,1H3.
What are the key properties of 5-chloro-N-(1-piperidin-2-ylpropan-2-yl)-1,3-benzothiazol-4-amine?
5-chloro-N-(1-piperidin-2-ylpropan-2-yl)-1,3-benzothiazol-4-amine has a molecular weight of 309.87 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-piperidin-2-ylpropan-2-yl)-1,3-benzothiazol-4-amine is sourced from PubChem (CID 79548676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).