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

C25H25N3O2S — CID 10477874

IUPACN-(1,3-benzothiazol-2-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
SMILESO=C(c1ccco1)N(c1nc2ccccc2s1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C25H25N3O2S/c29-24(22-10-6-18-30-22)28(25-26-21-9-4-5-11-23(21)31-25)20-13-16-27(17-14-20)15-12-19-7-2-1-3-8-19/h1-11,18,20H,12-17H2
InChIKeyPHXPAKBCXPKXEL-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-2-carboxamide

N-(1,3-benzothiazol-2-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide (PubChem CID 10477874) 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-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
PubChem CID10477874
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-2-carboxamide
SMILESO=C(c1ccco1)N(c1nc2ccccc2s1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C25H25N3O2S/c29-24(22-10-6-18-30-22)28(25-26-21-9-4-5-11-23(21)31-25)20-13-16-27(17-14-20)15-12-19-7-2-1-3-8-19/h1-11,18,20H,12-17H2
InChIKeyPHXPAKBCXPKXEL-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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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide (CID 10477874) is N-(1,3-benzothiazol-2-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide is O=C(c1ccco1)N(c1nc2ccccc2s1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide?
The InChIKey is PHXPAKBCXPKXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2S/c29-24(22-10-6-18-30-22)28(25-26-21-9-4-5-11-23(21)31-25)20-13-16-27(17-14-20)15-12-19-7-2-1-3-8-19/h1-11,18,20H,12-17H2.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide?
N-(1,3-benzothiazol-2-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-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-2-carboxamide is sourced from PubChem (CID 10477874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).