N-(1,3-benzothiazol-2-yl)-N-(2-piperidin-1-ylethyl)furan-2-carboxamide

C19H21N3O2S — CID 1439044

IUPACN-(1,3-benzothiazol-2-yl)-N-(2-piperidin-1-ylethyl)furan-2-carboxamide
SMILESO=C(c1ccco1)N(CCN1CCCCC1)c1nc2ccccc2s1
InChIInChI=1S/C19H21N3O2S/c23-18(16-8-6-14-24-16)22(13-12-21-10-4-1-5-11-21)19-20-15-7-2-3-9-17(15)25-19/h2-3,6-9,14H,1,4-5,10-13H2
InChIKeyHTLNQZRKGXKFRE-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.02
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-N-(2-piperidin-1-ylethyl)furan-2-carboxamide

N-(1,3-benzothiazol-2-yl)-N-(2-piperidin-1-ylethyl)furan-2-carboxamide (PubChem CID 1439044) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-(2-piperidin-1-ylethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-(2-piperidin-1-ylethyl)furan-2-carboxamide
PubChem CID1439044
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-(2-piperidin-1-ylethyl)furan-2-carboxamide
SMILESO=C(c1ccco1)N(CCN1CCCCC1)c1nc2ccccc2s1
InChIInChI=1S/C19H21N3O2S/c23-18(16-8-6-14-24-16)22(13-12-21-10-4-1-5-11-21)19-20-15-7-2-3-9-17(15)25-19/h2-3,6-9,14H,1,4-5,10-13H2
InChIKeyHTLNQZRKGXKFRE-UHFFFAOYSA-N
XLogP4.02
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.02
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-(2-piperidin-1-ylethyl)furan-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(2-piperidin-1-ylethyl)furan-2-carboxamide (CID 1439044) is N-(1,3-benzothiazol-2-yl)-N-(2-piperidin-1-ylethyl)furan-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-(2-piperidin-1-ylethyl)furan-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-(2-piperidin-1-ylethyl)furan-2-carboxamide is O=C(c1ccco1)N(CCN1CCCCC1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-(2-piperidin-1-ylethyl)furan-2-carboxamide?
The InChIKey is HTLNQZRKGXKFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c23-18(16-8-6-14-24-16)22(13-12-21-10-4-1-5-11-21)19-20-15-7-2-3-9-17(15)25-19/h2-3,6-9,14H,1,4-5,10-13H2.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-(2-piperidin-1-ylethyl)furan-2-carboxamide?
N-(1,3-benzothiazol-2-yl)-N-(2-piperidin-1-ylethyl)furan-2-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 4.02, 5 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-(2-piperidin-1-ylethyl)furan-2-carboxamide is sourced from PubChem (CID 1439044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).