(2-amino-1,3-benzothiazol-6-yl)-piperidin-1-ylmethanone

C13H15N3OS — CID 769187

IUPAC(2-amino-1,3-benzothiazol-6-yl)-piperidin-1-ylmethanone
SMILESNc1nc2ccc(C(=O)N3CCCCC3)cc2s1
InChIInChI=1S/C13H15N3OS/c14-13-15-10-5-4-9(8-11(10)18-13)12(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2,(H2,14,15)
InChIKeyRMXGLOPWFFSJAP-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.50
Rot. Bonds1

About (2-amino-1,3-benzothiazol-6-yl)-piperidin-1-ylmethanone

(2-amino-1,3-benzothiazol-6-yl)-piperidin-1-ylmethanone (PubChem CID 769187) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is (2-amino-1,3-benzothiazol-6-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(2-amino-1,3-benzothiazol-6-yl)-piperidin-1-ylmethanone
PubChem CID769187
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name(2-amino-1,3-benzothiazol-6-yl)-piperidin-1-ylmethanone
SMILESNc1nc2ccc(C(=O)N3CCCCC3)cc2s1
InChIInChI=1S/C13H15N3OS/c14-13-15-10-5-4-9(8-11(10)18-13)12(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2,(H2,14,15)
InChIKeyRMXGLOPWFFSJAP-UHFFFAOYSA-N
XLogP2.50
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzamide, N-2-benzothiazolyl-4-nitro-
CID 215271
Benzamide, 4-amino-N-(benzothiazol-2-yl)-
CID 37560
N-Benzothiazol-2-yl-benzamide
CID 689669
Benzamide, N-2-benzothiazolyl-4-fluoro-
CID 749175
N-(6-methylbenzo[d]thiazol-2-yl)thiophene-2-carboxamide
CID 739615
2-[1-(3-Fluorobenzoyl)piperidin-4-yl]-1,3-benzothiazole
CID 1430047
N-(pyridin-4-yl)-1,3-benzothiazole-6-carboxamide
CID 18109210
N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 953496
N-(1,3-Benzothiazol-2-YL)-2-fluorobenzamide
CID 717947
4-[(2-azanyl-1,3-benzothiazol-6-yl)sulfanylmethyl]-~{N}-(phenylmethyl)benzamide
CID 137628311
2-Amino-1,3-benzothiazole-6-carboxamide
CID 606347
2-[(4-Aminobenzoyl)amino]-1,3-benzothiazole-6-carboxamide
CID 712274

Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-benzothiazol-6-yl)-piperidin-1-ylmethanone?
The IUPAC name of (2-amino-1,3-benzothiazol-6-yl)-piperidin-1-ylmethanone (CID 769187) is (2-amino-1,3-benzothiazol-6-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (2-amino-1,3-benzothiazol-6-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (2-amino-1,3-benzothiazol-6-yl)-piperidin-1-ylmethanone is Nc1nc2ccc(C(=O)N3CCCCC3)cc2s1.
What is the InChIKey of (2-amino-1,3-benzothiazol-6-yl)-piperidin-1-ylmethanone?
The InChIKey is RMXGLOPWFFSJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c14-13-15-10-5-4-9(8-11(10)18-13)12(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2,(H2,14,15).
What are the key properties of (2-amino-1,3-benzothiazol-6-yl)-piperidin-1-ylmethanone?
(2-amino-1,3-benzothiazol-6-yl)-piperidin-1-ylmethanone has a molecular weight of 261.35 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-benzothiazol-6-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 769187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).