(5-chloro-1,3-benzothiazol-2-yl)-piperidin-1-ylmethanone

C13H13ClN2OS — CID 127046822

IUPAC(5-chloro-1,3-benzothiazol-2-yl)-piperidin-1-ylmethanone
SMILESO=C(c1nc2cc(Cl)ccc2s1)N1CCCCC1
InChIInChI=1S/C13H13ClN2OS/c14-9-4-5-11-10(8-9)15-12(18-11)13(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2
InChIKeyBZUAXCRWKADMMI-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.58
Rot. Bonds1

About (5-chloro-1,3-benzothiazol-2-yl)-piperidin-1-ylmethanone

(5-chloro-1,3-benzothiazol-2-yl)-piperidin-1-ylmethanone (PubChem CID 127046822) has the molecular formula C13H13ClN2OS and a molecular weight of 280.78 g/mol. Its IUPAC name is (5-chloro-1,3-benzothiazol-2-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(5-chloro-1,3-benzothiazol-2-yl)-piperidin-1-ylmethanone
PubChem CID127046822
Molecular FormulaC13H13ClN2OS
Molecular Weight280.78 g/mol
Exact Mass280.04
IUPAC Name(5-chloro-1,3-benzothiazol-2-yl)-piperidin-1-ylmethanone
SMILESO=C(c1nc2cc(Cl)ccc2s1)N1CCCCC1
InChIInChI=1S/C13H13ClN2OS/c14-9-4-5-11-10(8-9)15-12(18-11)13(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2
InChIKeyBZUAXCRWKADMMI-UHFFFAOYSA-N
XLogP3.58
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1,3-benzothiazol-2-yl)-piperidin-1-ylmethanone?
The IUPAC name of (5-chloro-1,3-benzothiazol-2-yl)-piperidin-1-ylmethanone (CID 127046822) is (5-chloro-1,3-benzothiazol-2-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (5-chloro-1,3-benzothiazol-2-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (5-chloro-1,3-benzothiazol-2-yl)-piperidin-1-ylmethanone is O=C(c1nc2cc(Cl)ccc2s1)N1CCCCC1.
What is the InChIKey of (5-chloro-1,3-benzothiazol-2-yl)-piperidin-1-ylmethanone?
The InChIKey is BZUAXCRWKADMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2OS/c14-9-4-5-11-10(8-9)15-12(18-11)13(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2.
What are the key properties of (5-chloro-1,3-benzothiazol-2-yl)-piperidin-1-ylmethanone?
(5-chloro-1,3-benzothiazol-2-yl)-piperidin-1-ylmethanone has a molecular weight of 280.78 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1,3-benzothiazol-2-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 127046822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).