N-[5-[4-(5-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide

C21H23N5O2S — CID 163357177

IUPACN-[5-[4-(5-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCOc1ccc2sc(N3CCN(c4ccc(NC(=O)C5CC5)nc4)CC3)nc2c1
InChIInChI=1S/C21H23N5O2S/c1-28-16-5-6-18-17(12-16)23-21(29-18)26-10-8-25(9-11-26)15-4-7-19(22-13-15)24-20(27)14-2-3-14/h4-7,12-14H,2-3,8-11H2,1H3,(H,22,24,27)
InChIKeyFHMBMKJLDTVTHL-UHFFFAOYSA-N
MW409.52 g/mol
LogP3.38
Rot. Bonds5

About N-[5-[4-(5-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide

N-[5-[4-(5-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 163357177) has the molecular formula C21H23N5O2S and a molecular weight of 409.52 g/mol. Its IUPAC name is N-[5-[4-(5-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-(5-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID163357177
Molecular FormulaC21H23N5O2S
Molecular Weight409.52 g/mol
Exact Mass409.16
IUPAC NameN-[5-[4-(5-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCOc1ccc2sc(N3CCN(c4ccc(NC(=O)C5CC5)nc4)CC3)nc2c1
InChIInChI=1S/C21H23N5O2S/c1-28-16-5-6-18-17(12-16)23-21(29-18)26-10-8-25(9-11-26)15-4-7-19(22-13-15)24-20(27)14-2-3-14/h4-7,12-14H,2-3,8-11H2,1H3,(H,22,24,27)
InChIKeyFHMBMKJLDTVTHL-UHFFFAOYSA-N
XLogP3.38
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-[4-(5-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(5-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-(5-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide (CID 163357177) is N-[5-[4-(5-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-(5-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-(5-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide is COc1ccc2sc(N3CCN(c4ccc(NC(=O)C5CC5)nc4)CC3)nc2c1.
What is the InChIKey of N-[5-[4-(5-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is FHMBMKJLDTVTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2S/c1-28-16-5-6-18-17(12-16)23-21(29-18)26-10-8-25(9-11-26)15-4-7-19(22-13-15)24-20(27)14-2-3-14/h4-7,12-14H,2-3,8-11H2,1H3,(H,22,24,27).
What are the key properties of N-[5-[4-(5-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide?
N-[5-[4-(5-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 409.52 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(5-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 163357177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).