2-cyclopropyl-5-piperidin-4-yl-1,3-benzothiazole

C15H18N2S — CID 117399909

IUPAC2-cyclopropyl-5-piperidin-4-yl-1,3-benzothiazole
SMILESc1cc2sc(C3CC3)nc2cc1C1CCNCC1
InChIInChI=1S/C15H18N2S/c1-2-11(1)15-17-13-9-12(3-4-14(13)18-15)10-5-7-16-8-6-10/h3-4,9-11,16H,1-2,5-8H2
InChIKeyBWMOLZNNRXJQPN-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.64
Rot. Bonds2

About 2-cyclopropyl-5-piperidin-4-yl-1,3-benzothiazole

2-cyclopropyl-5-piperidin-4-yl-1,3-benzothiazole (PubChem CID 117399909) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 2-cyclopropyl-5-piperidin-4-yl-1,3-benzothiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-piperidin-4-yl-1,3-benzothiazole
PubChem CID117399909
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name2-cyclopropyl-5-piperidin-4-yl-1,3-benzothiazole
SMILESc1cc2sc(C3CC3)nc2cc1C1CCNCC1
InChIInChI=1S/C15H18N2S/c1-2-11(1)15-17-13-9-12(3-4-14(13)18-15)10-5-7-16-8-6-10/h3-4,9-11,16H,1-2,5-8H2
InChIKeyBWMOLZNNRXJQPN-UHFFFAOYSA-N
XLogP3.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-piperidin-4-yl-1,3-benzothiazole?
The IUPAC name of 2-cyclopropyl-5-piperidin-4-yl-1,3-benzothiazole (CID 117399909) is 2-cyclopropyl-5-piperidin-4-yl-1,3-benzothiazole.
What is the SMILES notation for 2-cyclopropyl-5-piperidin-4-yl-1,3-benzothiazole?
The canonical SMILES for 2-cyclopropyl-5-piperidin-4-yl-1,3-benzothiazole is c1cc2sc(C3CC3)nc2cc1C1CCNCC1.
What is the InChIKey of 2-cyclopropyl-5-piperidin-4-yl-1,3-benzothiazole?
The InChIKey is BWMOLZNNRXJQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-2-11(1)15-17-13-9-12(3-4-14(13)18-15)10-5-7-16-8-6-10/h3-4,9-11,16H,1-2,5-8H2.
What are the key properties of 2-cyclopropyl-5-piperidin-4-yl-1,3-benzothiazole?
2-cyclopropyl-5-piperidin-4-yl-1,3-benzothiazole has a molecular weight of 258.39 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-piperidin-4-yl-1,3-benzothiazole is sourced from PubChem (CID 117399909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).