N-[1-(1,3-benzothiazol-2-yl)ethyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide

C21H25N3O2S — CID 46956995

IUPACN-[1-(1,3-benzothiazol-2-yl)ethyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide
SMILESCC1CCN(Cc2ccc(C(=O)NC(C)c3nc4ccccc4s3)o2)CC1
InChIInChI=1S/C21H25N3O2S/c1-14-9-11-24(12-10-14)13-16-7-8-18(26-16)20(25)22-15(2)21-23-17-5-3-4-6-19(17)27-21/h3-8,14-15H,9-13H2,1-2H3,(H,22,25)
InChIKeyDCHFGJRTHJDYTL-UHFFFAOYSA-N
MW383.52 g/mol
LogP4.61
Rot. Bonds5

About N-[1-(1,3-benzothiazol-2-yl)ethyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide

N-[1-(1,3-benzothiazol-2-yl)ethyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide (PubChem CID 46956995) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is N-[1-(1,3-benzothiazol-2-yl)ethyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-benzothiazol-2-yl)ethyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide
PubChem CID46956995
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC NameN-[1-(1,3-benzothiazol-2-yl)ethyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide
SMILESCC1CCN(Cc2ccc(C(=O)NC(C)c3nc4ccccc4s3)o2)CC1
InChIInChI=1S/C21H25N3O2S/c1-14-9-11-24(12-10-14)13-16-7-8-18(26-16)20(25)22-15(2)21-23-17-5-3-4-6-19(17)27-21/h3-8,14-15H,9-13H2,1-2H3,(H,22,25)
InChIKeyDCHFGJRTHJDYTL-UHFFFAOYSA-N
XLogP4.61
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-methylpiperidin-1-yl)methyl]-N-[1-(2-pyrazol-1-ylphenyl)ethyl]furan-2-carboxamide
CID 131951497
5-[(4-methylpiperidin-1-yl)methyl]-N-(2-pyridin-2-ylethyl)furan-2-carboxamide
CID 42850852
N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]acetamide
CID 94044935
5-(1,3-benzothiazol-2-yl)-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 93255813
5-bromo-N-[6-[(4-methylpiperidin-1-yl)methyl]-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 108760794
1-[[1-(1,3-benzothiazol-2-yl)ethylamino]methyl]-4-methylcyclohexan-1-ol
CID 65117649
(E)-1-(1,3-benzothiazol-2-yl)-3-(1-benzylpiperidin-4-yl)prop-2-en-1-ol
CID 15549618
5-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 42850708
2-[(1S)-1-[4-(4-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]ethyl]-1,3-benzothiazole
CID 51869364
(2S)-2-amino-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-methylbutanamide
CID 18664320
N-[1-(2-ethylpyrazol-3-yl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414242
N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide
CID 166613163

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzothiazol-2-yl)ethyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-[1-(1,3-benzothiazol-2-yl)ethyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide (CID 46956995) is N-[1-(1,3-benzothiazol-2-yl)ethyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(1,3-benzothiazol-2-yl)ethyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[1-(1,3-benzothiazol-2-yl)ethyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide is CC1CCN(Cc2ccc(C(=O)NC(C)c3nc4ccccc4s3)o2)CC1.
What is the InChIKey of N-[1-(1,3-benzothiazol-2-yl)ethyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide?
The InChIKey is DCHFGJRTHJDYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-14-9-11-24(12-10-14)13-16-7-8-18(26-16)20(25)22-15(2)21-23-17-5-3-4-6-19(17)27-21/h3-8,14-15H,9-13H2,1-2H3,(H,22,25).
What are the key properties of N-[1-(1,3-benzothiazol-2-yl)ethyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide?
N-[1-(1,3-benzothiazol-2-yl)ethyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide has a molecular weight of 383.52 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzothiazol-2-yl)ethyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 46956995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).