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

C13H16ClN3S — CID 106633191

IUPAC5-chloro-N-(piperidin-2-ylmethyl)-1,3-benzothiazol-4-amine
SMILESClc1ccc2scnc2c1NCC1CCCCN1
InChIInChI=1S/C13H16ClN3S/c14-10-4-5-11-13(17-8-18-11)12(10)16-7-9-3-1-2-6-15-9/h4-5,8-9,15-16H,1-3,6-7H2
InChIKeyPHRBUSGUKYEDPC-UHFFFAOYSA-N
MW281.81 g/mol
LogP3.50
Rot. Bonds3

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

5-chloro-N-(piperidin-2-ylmethyl)-1,3-benzothiazol-4-amine (PubChem CID 106633191) has the molecular formula C13H16ClN3S and a molecular weight of 281.81 g/mol. Its IUPAC name is 5-chloro-N-(piperidin-2-ylmethyl)-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name5-chloro-N-(piperidin-2-ylmethyl)-1,3-benzothiazol-4-amine
PubChem CID106633191
Molecular FormulaC13H16ClN3S
Molecular Weight281.81 g/mol
Exact Mass281.08
IUPAC Name5-chloro-N-(piperidin-2-ylmethyl)-1,3-benzothiazol-4-amine
SMILESClc1ccc2scnc2c1NCC1CCCCN1
InChIInChI=1S/C13H16ClN3S/c14-10-4-5-11-13(17-8-18-11)12(10)16-7-9-3-1-2-6-15-9/h4-5,8-9,15-16H,1-3,6-7H2
InChIKeyPHRBUSGUKYEDPC-UHFFFAOYSA-N
XLogP3.50
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(1-piperidin-2-ylpropan-2-yl)-1,3-benzothiazol-4-amine
CID 79548676
2,6-dichloro-N-(piperidin-2-ylmethyl)aniline
CID 106634051
4-nitro-N-(pyrrolidin-2-ylmethyl)-1,3-benzothiazol-5-amine
CID 62542535
2,4,6-trichloro-N-(piperidin-2-ylmethyl)aniline
CID 106633086
5-chloro-N-(dicyclopropylmethyl)-1,3-benzothiazol-4-amine
CID 43674852
5-chloro-N-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazol-4-amine
CID 43674738
5-chloro-N-[(3,5-dimethylphenyl)methyl]-1,3-benzothiazol-4-amine
CID 63427985
N-[(2-bromophenyl)methyl]-5-chloro-1,3-benzothiazol-4-amine
CID 43674813
N-(5-chloro-1,3-benzothiazol-4-yl)-2-piperidin-4-yloxyacetamide
CID 63877586
5-chloro-N-[(3-cyclopropylimidazol-4-yl)methyl]-1,3-benzothiazol-4-amine
CID 66162297
5-chloro-N-[(2,5-dimethylthiophen-3-yl)methyl]-1,3-benzothiazol-4-amine
CID 63428032
5-chloro-N-[(2,4,6-trimethylphenyl)methyl]-1,3-benzothiazol-4-amine
CID 43674748

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(piperidin-2-ylmethyl)-1,3-benzothiazol-4-amine?
The IUPAC name of 5-chloro-N-(piperidin-2-ylmethyl)-1,3-benzothiazol-4-amine (CID 106633191) is 5-chloro-N-(piperidin-2-ylmethyl)-1,3-benzothiazol-4-amine.
What is the SMILES notation for 5-chloro-N-(piperidin-2-ylmethyl)-1,3-benzothiazol-4-amine?
The canonical SMILES for 5-chloro-N-(piperidin-2-ylmethyl)-1,3-benzothiazol-4-amine is Clc1ccc2scnc2c1NCC1CCCCN1.
What is the InChIKey of 5-chloro-N-(piperidin-2-ylmethyl)-1,3-benzothiazol-4-amine?
The InChIKey is PHRBUSGUKYEDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3S/c14-10-4-5-11-13(17-8-18-11)12(10)16-7-9-3-1-2-6-15-9/h4-5,8-9,15-16H,1-3,6-7H2.
What are the key properties of 5-chloro-N-(piperidin-2-ylmethyl)-1,3-benzothiazol-4-amine?
5-chloro-N-(piperidin-2-ylmethyl)-1,3-benzothiazol-4-amine has a molecular weight of 281.81 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(piperidin-2-ylmethyl)-1,3-benzothiazol-4-amine is sourced from PubChem (CID 106633191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).