N-(1,3-benzothiazol-2-yl)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide

C20H21N3O3S — CID 42948282

IUPACN-(1,3-benzothiazol-2-yl)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide
SMILESCCN(C(=O)C1CCCN(C(=O)c2ccoc2)C1)c1nc2ccccc2s1
InChIInChI=1S/C20H21N3O3S/c1-2-23(20-21-16-7-3-4-8-17(16)27-20)19(25)14-6-5-10-22(12-14)18(24)15-9-11-26-13-15/h3-4,7-9,11,13-14H,2,5-6,10,12H2,1H3
InChIKeyOPPBVVXDYRFRHX-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.79
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide

N-(1,3-benzothiazol-2-yl)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide (PubChem CID 42948282) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide
PubChem CID42948282
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide
SMILESCCN(C(=O)C1CCCN(C(=O)c2ccoc2)C1)c1nc2ccccc2s1
InChIInChI=1S/C20H21N3O3S/c1-2-23(20-21-16-7-3-4-8-17(16)27-20)19(25)14-6-5-10-22(12-14)18(24)15-9-11-26-13-15/h3-4,7-9,11,13-14H,2,5-6,10,12H2,1H3
InChIKeyOPPBVVXDYRFRHX-UHFFFAOYSA-N
XLogP3.79
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.79
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)-N-(2-methylpropyl)furan-2-carboxamide
CID 2414029
N-(6-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-3-furamide
CID 831650
N-(6-ethoxybenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 16032500
N-(1,3-benzothiazol-2-yl)-2-methoxy-N-[2-(1-methyl-2-pyrrolidinyl)ethyl]benzamide
CID 3229425
1-(furan-2-ylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 4876376
N-(1,3-benzothiazol-2-yl)-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 6463099
N-(6-phenoxy-1,3-benzothiazol-2-yl)furan-3-carboxamide
CID 17494812
N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 7208550
(2Z,5E)-3-allyl-2-(1,3-benzothiazol-2-ylimino)-5-(2-furylmethylene)thiazolidin-4-one
CID 9575443
N-(1,3-benzothiazol-2-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
CID 10477874

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide (CID 42948282) is N-(1,3-benzothiazol-2-yl)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide is CCN(C(=O)C1CCCN(C(=O)c2ccoc2)C1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide?
The InChIKey is OPPBVVXDYRFRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-2-23(20-21-16-7-3-4-8-17(16)27-20)19(25)14-6-5-10-22(12-14)18(24)15-9-11-26-13-15/h3-4,7-9,11,13-14H,2,5-6,10,12H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide?
N-(1,3-benzothiazol-2-yl)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 3.79, 4 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-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 42948282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).