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

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Related Compounds

5-Methoxy-2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-benzothiazole;hydrochloride
CID 90255119
N-[5-(5-methoxy-1,3-benzothiazol-2-yl)pyridin-3-yl]acetamide
CID 134434352
[1-(6-Ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 5309731
5-methoxy-N-(4-(pyridin-2-yl)thiazol-2-yl)benzo[d]thiazol-2-amine
CID 16819665
N-[6-[4-fluoro-3-[(2-pyridin-2-ylacetyl)amino]phenoxy]-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
CID 141735085
1-[4-[2-[4-(1,3-Benzothiazol-2-ylamino)phenoxy]-3-pyridinyl]piperazin-1-yl]ethanone
CID 59326780
1-Pyrazin-2-yl-piperidine-4-carboxylic acid (6-ethoxy-benzothiazol-2-yl)-amide
CID 645978
N-(6-Ethoxy-benzothiazol-2-yl)-2-(4-pyridin-2-yl-piperazin-1-yl)-acetamide
CID 649685
N-(5-methoxybenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
CID 16032399
N-(5-methoxybenzo[d]thiazol-2-yl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 16032416
1-(6-Methoxy-1,3-benzothiazol-2-yl)-3-pyridin-3-ylurea
CID 44415555
3-[(6-methoxy-1,3-benzothiazol-2-yl)methylideneamino]-N-phenylpyridin-2-amine
CID 137635393

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).