N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(cyclopentylmethyl)cyclobutanecarboxamide

C19H23ClN2OS — CID 167636148

IUPACN-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(cyclopentylmethyl)cyclobutanecarboxamide
SMILESCc1cc(Cl)cc2sc(N(CC3CCCC3)C(=O)C3CCC3)nc12
InChIInChI=1S/C19H23ClN2OS/c1-12-9-15(20)10-16-17(12)21-19(24-16)22(11-13-5-2-3-6-13)18(23)14-7-4-8-14/h9-10,13-14H,2-8,11H2,1H3
InChIKeyLXTRKRKFNRPUPB-UHFFFAOYSA-N
MW362.93 g/mol
LogP5.58
Rot. Bonds4

About N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(cyclopentylmethyl)cyclobutanecarboxamide

N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(cyclopentylmethyl)cyclobutanecarboxamide (PubChem CID 167636148) has the molecular formula C19H23ClN2OS and a molecular weight of 362.93 g/mol. Its IUPAC name is N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(cyclopentylmethyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(cyclopentylmethyl)cyclobutanecarboxamide
PubChem CID167636148
Molecular FormulaC19H23ClN2OS
Molecular Weight362.93 g/mol
Exact Mass362.12
IUPAC NameN-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(cyclopentylmethyl)cyclobutanecarboxamide
SMILESCc1cc(Cl)cc2sc(N(CC3CCCC3)C(=O)C3CCC3)nc12
InChIInChI=1S/C19H23ClN2OS/c1-12-9-15(20)10-16-17(12)21-19(24-16)22(11-13-5-2-3-6-13)18(23)14-7-4-8-14/h9-10,13-14H,2-8,11H2,1H3
InChIKeyLXTRKRKFNRPUPB-UHFFFAOYSA-N
XLogP5.58
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.93
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)cyclohexanecarboxamide
CID 43963226
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 43989202
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-pyrrol-1-ylpropyl)oxolane-2-carboxamide
CID 167676442
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 44919431
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)cyclohexanecarboxamide
CID 44949322
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 43990106
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]acetamide;hydrochloride
CID 44929147
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-[3-[[(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-[2-[4-[2-[(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-(cyclopropanecarbonyl)amino]ethyl]piperidin-2-yl]cyclopropanecarbonyl]amino]methyl]piperidin-4-yl]-N-(pyrrolidin-3-ylmethyl)cyclopropane-1-carboxamide
CID 167178572
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)sulfonyl-N-[3-(dimethylamino)propyl]pyrrolidine-2-carboxamide
CID 43965622
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2,2-dimethylpropanamide;hydrochloride
CID 44932462
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]butanamide
CID 8701955
2,5-dichloro-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]thiophene-3-carboxamide
CID 43965570

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(cyclopentylmethyl)cyclobutanecarboxamide?
The IUPAC name of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(cyclopentylmethyl)cyclobutanecarboxamide (CID 167636148) is N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(cyclopentylmethyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(cyclopentylmethyl)cyclobutanecarboxamide?
The canonical SMILES for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(cyclopentylmethyl)cyclobutanecarboxamide is Cc1cc(Cl)cc2sc(N(CC3CCCC3)C(=O)C3CCC3)nc12.
What is the InChIKey of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(cyclopentylmethyl)cyclobutanecarboxamide?
The InChIKey is LXTRKRKFNRPUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2OS/c1-12-9-15(20)10-16-17(12)21-19(24-16)22(11-13-5-2-3-6-13)18(23)14-7-4-8-14/h9-10,13-14H,2-8,11H2,1H3.
What are the key properties of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(cyclopentylmethyl)cyclobutanecarboxamide?
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(cyclopentylmethyl)cyclobutanecarboxamide has a molecular weight of 362.93 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(cyclopentylmethyl)cyclobutanecarboxamide is sourced from PubChem (CID 167636148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).