N-(6-chloro-1,3-benzothiazol-2-yl)-1-(furan-3-carbonyl)piperidine-3-carboxamide

C18H16ClN3O3S — CID 43054844

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)C1CCCN(C(=O)c2ccoc2)C1
InChIInChI=1S/C18H16ClN3O3S/c19-13-3-4-14-15(8-13)26-18(20-14)21-16(23)11-2-1-6-22(9-11)17(24)12-5-7-25-10-12/h3-5,7-8,10-11H,1-2,6,9H2,(H,20,21,23)
InChIKeyCBNWRBKKHWLUSZ-UHFFFAOYSA-N
MW389.86 g/mol
LogP4.03
Rot. Bonds3

About N-(6-chloro-1,3-benzothiazol-2-yl)-1-(furan-3-carbonyl)piperidine-3-carboxamide

N-(6-chloro-1,3-benzothiazol-2-yl)-1-(furan-3-carbonyl)piperidine-3-carboxamide (PubChem CID 43054844) has the molecular formula C18H16ClN3O3S and a molecular weight of 389.86 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-1-(furan-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
PubChem CID43054844
Molecular FormulaC18H16ClN3O3S
Molecular Weight389.86 g/mol
Exact Mass389.06
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)C1CCCN(C(=O)c2ccoc2)C1
InChIInChI=1S/C18H16ClN3O3S/c19-13-3-4-14-15(8-13)26-18(20-14)21-16(23)11-2-1-6-22(9-11)17(24)12-5-7-25-10-12/h3-5,7-8,10-11H,1-2,6,9H2,(H,20,21,23)
InChIKeyCBNWRBKKHWLUSZ-UHFFFAOYSA-N
XLogP4.03
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(4-chlorobenzoyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 25361437
N-(3,4-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46568104
N-(3,5-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 42948171
1-(3,5-dimethylbenzoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 46491452
N-(3-chloro-4-fluorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 42948189
N-(6-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
CID 836745
1-(4-chlorobenzoyl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 24600025
1-(furan-3-carbonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 46577074
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46568216
1-(1,3-benzodioxole-5-carbonyl)-N-(6-chloro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 71785433
(3S)-1-(4-fluorobenzoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 94858021
(3R)-1-(cyclopropanecarbonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 94819627

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-1-(furan-3-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-1-(furan-3-carbonyl)piperidine-3-carboxamide (CID 43054844) is N-(6-chloro-1,3-benzothiazol-2-yl)-1-(furan-3-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-1-(furan-3-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-1-(furan-3-carbonyl)piperidine-3-carboxamide is O=C(Nc1nc2ccc(Cl)cc2s1)C1CCCN(C(=O)c2ccoc2)C1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-1-(furan-3-carbonyl)piperidine-3-carboxamide?
The InChIKey is CBNWRBKKHWLUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3S/c19-13-3-4-14-15(8-13)26-18(20-14)21-16(23)11-2-1-6-22(9-11)17(24)12-5-7-25-10-12/h3-5,7-8,10-11H,1-2,6,9H2,(H,20,21,23).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-1-(furan-3-carbonyl)piperidine-3-carboxamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-1-(furan-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 389.86 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-1-(furan-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 43054844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).