N-(6-chloro-1,3-benzothiazol-2-yl)-3-ethylpiperidine-3-carboxamide

C15H18ClN3OS — CID 63132685

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-3-ethylpiperidine-3-carboxamide
SMILESCCC1(C(=O)Nc2nc3ccc(Cl)cc3s2)CCCNC1
InChIInChI=1S/C15H18ClN3OS/c1-2-15(6-3-7-17-9-15)13(20)19-14-18-11-5-4-10(16)8-12(11)21-14/h4-5,8,17H,2-3,6-7,9H2,1H3,(H,18,19,20)
InChIKeyIVQDNZCYSVXERY-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.67
Rot. Bonds3

About N-(6-chloro-1,3-benzothiazol-2-yl)-3-ethylpiperidine-3-carboxamide

N-(6-chloro-1,3-benzothiazol-2-yl)-3-ethylpiperidine-3-carboxamide (PubChem CID 63132685) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-3-ethylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-3-ethylpiperidine-3-carboxamide
PubChem CID63132685
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-3-ethylpiperidine-3-carboxamide
SMILESCCC1(C(=O)Nc2nc3ccc(Cl)cc3s2)CCCNC1
InChIInChI=1S/C15H18ClN3OS/c1-2-15(6-3-7-17-9-15)13(20)19-14-18-11-5-4-10(16)8-12(11)21-14/h4-5,8,17H,2-3,6-7,9H2,1H3,(H,18,19,20)
InChIKeyIVQDNZCYSVXERY-UHFFFAOYSA-N
XLogP3.67
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943598
1-carbamothioyl-N-(6-chloro-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
CID 80592716
1-(aminomethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)cyclobutane-1-carboxamide
CID 115447324
N-(4-acetyl-1,3-thiazol-2-yl)-3-ethylpiperidine-3-carboxamide
CID 64556117
1-[[(6-chloro-1,3-benzothiazol-2-yl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115451119
N-(3-chloro-4-methoxyphenyl)-3-ethylpiperidine-3-carboxamide
CID 63132336
N-(6-chloro-1,3-benzothiazol-2-yl)-2-piperazin-1-ylacetamide
CID 43130620
N-(3-bromo-4-fluorophenyl)-3-ethylpiperidine-3-carboxamide
CID 104778149
N-(2,3-dichlorophenyl)-3-ethylpiperidine-3-carboxamide
CID 55179344
3-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid
CID 63131356
N-(6-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
CID 836745
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-sulfanylphenyl)acetamide
CID 107020051

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-3-ethylpiperidine-3-carboxamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-3-ethylpiperidine-3-carboxamide (CID 63132685) is N-(6-chloro-1,3-benzothiazol-2-yl)-3-ethylpiperidine-3-carboxamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-3-ethylpiperidine-3-carboxamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-3-ethylpiperidine-3-carboxamide is CCC1(C(=O)Nc2nc3ccc(Cl)cc3s2)CCCNC1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-3-ethylpiperidine-3-carboxamide?
The InChIKey is IVQDNZCYSVXERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS/c1-2-15(6-3-7-17-9-15)13(20)19-14-18-11-5-4-10(16)8-12(11)21-14/h4-5,8,17H,2-3,6-7,9H2,1H3,(H,18,19,20).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-3-ethylpiperidine-3-carboxamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-3-ethylpiperidine-3-carboxamide has a molecular weight of 323.85 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-3-ethylpiperidine-3-carboxamide is sourced from PubChem (CID 63132685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).