N-(1,3-benzothiazol-2-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-carboxamide

C25H25N3O2S — CID 14330409

IUPACN-(1,3-benzothiazol-2-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-carboxamide
SMILESO=C(c1ccoc1)N(c1nc2ccccc2s1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C25H25N3O2S/c29-24(20-13-17-30-18-20)28(25-26-22-8-4-5-9-23(22)31-25)21-11-15-27(16-12-21)14-10-19-6-2-1-3-7-19/h1-9,13,17-18,21H,10-12,14-16H2
InChIKeyGPBQMMHNXJPEFU-UHFFFAOYSA-N
MW431.56 g/mol
LogP5.24
Rot. Bonds6

About N-(1,3-benzothiazol-2-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-carboxamide

N-(1,3-benzothiazol-2-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-carboxamide (PubChem CID 14330409) has the molecular formula C25H25N3O2S and a molecular weight of 431.56 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-carboxamide
PubChem CID14330409
Molecular FormulaC25H25N3O2S
Molecular Weight431.56 g/mol
Exact Mass431.17
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-carboxamide
SMILESO=C(c1ccoc1)N(c1nc2ccccc2s1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C25H25N3O2S/c29-24(20-13-17-30-18-20)28(25-26-22-8-4-5-9-23(22)31-25)21-11-15-27(16-12-21)14-10-19-6-2-1-3-7-19/h1-9,13,17-18,21H,10-12,14-16H2
InChIKeyGPBQMMHNXJPEFU-UHFFFAOYSA-N
XLogP5.24
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.56
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylfuran-3-carboxamide
CID 887167
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylfuran-3-carboxamide
CID 1245272
N-(1,3-benzothiazol-2-yl)-2-methoxy-N-[2-(1-methyl-2-pyrrolidinyl)ethyl]benzamide
CID 3229425
N-(4-{[1,1'-biphenyl]-4-yl}-1,3-thiazol-2-yl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 35509215
N-(6-phenoxy-1,3-benzothiazol-2-yl)furan-3-carboxamide
CID 17494812
N-(1,3-benzothiazol-2-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
CID 10477874
N-3-(dimethylamino)propyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)p-benzoylbenzamide
CID 24892580
N-(1,3-benzothiazol-2-yl)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 42948282
N-(6-fluorobenzo[d]thiazol-2-yl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)furan-3-carboxamide
CID 43987115
N-[2-(cyclohexanecarbonylamino)-1,3-benzothiazol-6-yl]-2,4-dimethylfuran-3-carboxamide
CID 44397672
(2,5-Dimethylfuran-3-yl)(4-(6-(trifluoromethoxy)benzo[d]thiazol-2-yl)piperazin-1-yl)methanone
CID 45502916
2,5-dimethyl-N-(pyridin-3-ylmethyl)-N-(4-(trifluoromethyl)benzo[d]thiazol-2-yl)furan-3-carboxamide
CID 71779355

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-carboxamide (CID 14330409) is N-(1,3-benzothiazol-2-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-carboxamide is O=C(c1ccoc1)N(c1nc2ccccc2s1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-carboxamide?
The InChIKey is GPBQMMHNXJPEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2S/c29-24(20-13-17-30-18-20)28(25-26-22-8-4-5-9-23(22)31-25)21-11-15-27(16-12-21)14-10-19-6-2-1-3-7-19/h1-9,13,17-18,21H,10-12,14-16H2.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-carboxamide?
N-(1,3-benzothiazol-2-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-carboxamide has a molecular weight of 431.56 g/mol, XLogP of 5.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-carboxamide is sourced from PubChem (CID 14330409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).