4-(1,3-benzothiazol-2-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide

C23H24N6OS — CID 78832639

IUPAC4-(1,3-benzothiazol-2-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCC(c2nc3ccccc3s2)CC1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C23H24N6OS/c1-16(17-6-8-19(9-7-17)29-15-24-14-25-29)26-23(30)28-12-10-18(11-13-28)22-27-20-4-2-3-5-21(20)31-22/h2-9,14-16,18H,10-13H2,1H3,(H,26,30)
InChIKeyFJLDSFPZQACJLR-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.53
Rot. Bonds4

About 4-(1,3-benzothiazol-2-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide

4-(1,3-benzothiazol-2-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide (PubChem CID 78832639) has the molecular formula C23H24N6OS and a molecular weight of 432.55 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide
PubChem CID78832639
Molecular FormulaC23H24N6OS
Molecular Weight432.55 g/mol
Exact Mass432.17
IUPAC Name4-(1,3-benzothiazol-2-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCC(c2nc3ccccc3s2)CC1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C23H24N6OS/c1-16(17-6-8-19(9-7-17)29-15-24-14-25-29)26-23(30)28-12-10-18(11-13-28)22-27-20-4-2-3-5-21(20)31-22/h2-9,14-16,18H,10-13H2,1H3,(H,26,30)
InChIKeyFJLDSFPZQACJLR-UHFFFAOYSA-N
XLogP4.53
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(1,3-benzothiazol-2-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide with MolForge

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Related Compounds

2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 9337460
N-[1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 78775818
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 9218722
1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 16857461
[1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-oxopropan-2-yl]urea
CID 112761722
(2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-1-one
CID 9336851
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 55648137
N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]cyclohexanecarboxamide
CID 17427032
[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8792884
3-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide
CID 78804509
4-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672318
(3S)-1-N-phenyl-3-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1,3-dicarboxamide
CID 40811999

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide (CID 78832639) is 4-(1,3-benzothiazol-2-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide is CC(NC(=O)N1CCC(c2nc3ccccc3s2)CC1)c1ccc(-n2cncn2)cc1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide?
The InChIKey is FJLDSFPZQACJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6OS/c1-16(17-6-8-19(9-7-17)29-15-24-14-25-29)26-23(30)28-12-10-18(11-13-28)22-27-20-4-2-3-5-21(20)31-22/h2-9,14-16,18H,10-13H2,1H3,(H,26,30).
What are the key properties of 4-(1,3-benzothiazol-2-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide?
4-(1,3-benzothiazol-2-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 78832639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).