N-(6-phenoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide

C19H18N2O2S — CID 7948425

IUPACN-(6-phenoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
SMILESO=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)C1CCCC1
InChIInChI=1S/C19H18N2O2S/c22-18(13-6-4-5-7-13)21-19-20-16-11-10-15(12-17(16)24-19)23-14-8-2-1-3-9-14/h1-3,8-13H,4-7H2,(H,20,21,22)
InChIKeyHGIXLEXZCIJDHV-UHFFFAOYSA-N
MW338.43 g/mol
LogP5.22
Rot. Bonds4

About N-(6-phenoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide

N-(6-phenoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide (PubChem CID 7948425) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-(6-phenoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(6-phenoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
PubChem CID7948425
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC NameN-(6-phenoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
SMILESO=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)C1CCCC1
InChIInChI=1S/C19H18N2O2S/c22-18(13-6-4-5-7-13)21-19-20-16-11-10-15(12-17(16)24-19)23-14-8-2-1-3-9-14/h1-3,8-13H,4-7H2,(H,20,21,22)
InChIKeyHGIXLEXZCIJDHV-UHFFFAOYSA-N
XLogP5.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.43
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,1-N-dimethyl-4-N-(6-phenoxy-1,3-benzothiazol-2-yl)piperidine-1,4-dicarboxamide
CID 46491516
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
CID 739502
1-(6-chloropyridazin-3-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 46586048
N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 835551
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 863482
cis-(1R,2S)-2-nitro-N-(6-phenoxy-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
CID 97016318
N-(6-phenoxy-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 2090733
N-(6-phenoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 7948419
N-(6-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
CID 836745
3-[[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]oxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 86655380
4-acetamido-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
CID 8749066
1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456

Frequently Asked Questions

What is the IUPAC name of N-(6-phenoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide?
The IUPAC name of N-(6-phenoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide (CID 7948425) is N-(6-phenoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(6-phenoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(6-phenoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide is O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)C1CCCC1.
What is the InChIKey of N-(6-phenoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide?
The InChIKey is HGIXLEXZCIJDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c22-18(13-6-4-5-7-13)21-19-20-16-11-10-15(12-17(16)24-19)23-14-8-2-1-3-9-14/h1-3,8-13H,4-7H2,(H,20,21,22).
What are the key properties of N-(6-phenoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide?
N-(6-phenoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide has a molecular weight of 338.43 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-phenoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide is sourced from PubChem (CID 7948425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).