5-chloro-N-piperidin-4-yl-1,3-benzothiazol-4-amine

C12H14ClN3S — CID 54902456

IUPAC5-chloro-N-piperidin-4-yl-1,3-benzothiazol-4-amine
SMILESClc1ccc2scnc2c1NC1CCNCC1
InChIInChI=1S/C12H14ClN3S/c13-9-1-2-10-12(15-7-17-10)11(9)16-8-3-5-14-6-4-8/h1-2,7-8,14,16H,3-6H2
InChIKeyRJSWNUGBTIZTES-UHFFFAOYSA-N
MW267.78 g/mol
LogP3.11
Rot. Bonds2

About 5-chloro-N-piperidin-4-yl-1,3-benzothiazol-4-amine

5-chloro-N-piperidin-4-yl-1,3-benzothiazol-4-amine (PubChem CID 54902456) has the molecular formula C12H14ClN3S and a molecular weight of 267.78 g/mol. Its IUPAC name is 5-chloro-N-piperidin-4-yl-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name5-chloro-N-piperidin-4-yl-1,3-benzothiazol-4-amine
PubChem CID54902456
Molecular FormulaC12H14ClN3S
Molecular Weight267.78 g/mol
Exact Mass267.06
IUPAC Name5-chloro-N-piperidin-4-yl-1,3-benzothiazol-4-amine
SMILESClc1ccc2scnc2c1NC1CCNCC1
InChIInChI=1S/C12H14ClN3S/c13-9-1-2-10-12(15-7-17-10)11(9)16-8-3-5-14-6-4-8/h1-2,7-8,14,16H,3-6H2
InChIKeyRJSWNUGBTIZTES-UHFFFAOYSA-N
XLogP3.11
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-piperidin-4-yl-1,3-benzothiazol-4-amine?
The IUPAC name of 5-chloro-N-piperidin-4-yl-1,3-benzothiazol-4-amine (CID 54902456) is 5-chloro-N-piperidin-4-yl-1,3-benzothiazol-4-amine.
What is the SMILES notation for 5-chloro-N-piperidin-4-yl-1,3-benzothiazol-4-amine?
The canonical SMILES for 5-chloro-N-piperidin-4-yl-1,3-benzothiazol-4-amine is Clc1ccc2scnc2c1NC1CCNCC1.
What is the InChIKey of 5-chloro-N-piperidin-4-yl-1,3-benzothiazol-4-amine?
The InChIKey is RJSWNUGBTIZTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3S/c13-9-1-2-10-12(15-7-17-10)11(9)16-8-3-5-14-6-4-8/h1-2,7-8,14,16H,3-6H2.
What are the key properties of 5-chloro-N-piperidin-4-yl-1,3-benzothiazol-4-amine?
5-chloro-N-piperidin-4-yl-1,3-benzothiazol-4-amine has a molecular weight of 267.78 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-piperidin-4-yl-1,3-benzothiazol-4-amine is sourced from PubChem (CID 54902456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).