N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-phenoxybenzamide;hydrochloride

C27H27ClFN3O3S — CID 44935755

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-phenoxybenzamide;hydrochloride
SMILESCl.O=C(c1ccccc1Oc1ccccc1)N(CCCN1CCOCC1)c1nc2ccc(F)cc2s1
InChIInChI=1S/C27H26FN3O3S.ClH/c28-20-11-12-23-25(19-20)35-27(29-23)31(14-6-13-30-15-17-33-18-16-30)26(32)22-9-4-5-10-24(22)34-21-7-2-1-3-8-21;/h1-5,7-12,19H,6,13-18H2;1H
InChIKeyUWLBSLOMAJRMDI-UHFFFAOYSA-N
MW528.05 g/mol
LogP6.02
Rot. Bonds8

About N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-phenoxybenzamide;hydrochloride

N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-phenoxybenzamide;hydrochloride (PubChem CID 44935755) has the molecular formula C27H27ClFN3O3S and a molecular weight of 528.05 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-phenoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-phenoxybenzamide;hydrochloride
PubChem CID44935755
Molecular FormulaC27H27ClFN3O3S
Molecular Weight528.05 g/mol
Exact Mass527.14
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-phenoxybenzamide;hydrochloride
SMILESCl.O=C(c1ccccc1Oc1ccccc1)N(CCCN1CCOCC1)c1nc2ccc(F)cc2s1
InChIInChI=1S/C27H26FN3O3S.ClH/c28-20-11-12-23-25(19-20)35-27(29-23)31(14-6-13-30-15-17-33-18-16-30)26(32)22-9-4-5-10-24(22)34-21-7-2-1-3-8-21;/h1-5,7-12,19H,6,13-18H2;1H
InChIKeyUWLBSLOMAJRMDI-UHFFFAOYSA-N
XLogP6.02
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.05
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-phenoxybenzamide;hydrochloride with MolForge

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Related Compounds

N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3-phenoxybenzamide
CID 29071594
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 7615664
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-iodo-N-(3-morpholin-4-ylpropyl)benzamide
CID 43999114
N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-phenoxybenzamide
CID 29070116
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 29071477
N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
CID 44935685
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-5-carboxamide
CID 25284148
4-ethoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 29071589
N-(6-fluoro-1,3-benzothiazol-2-yl)-4-methylsulfanyl-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
CID 44935782
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3-(trifluoromethyl)benzamide
CID 29071519
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)naphthalene-1-carboxamide;hydrochloride
CID 44935347
N-(4-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-phenoxybenzamide;hydrochloride
CID 44932828

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-phenoxybenzamide;hydrochloride?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-phenoxybenzamide;hydrochloride (CID 44935755) is N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-phenoxybenzamide;hydrochloride.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-phenoxybenzamide;hydrochloride?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-phenoxybenzamide;hydrochloride is Cl.O=C(c1ccccc1Oc1ccccc1)N(CCCN1CCOCC1)c1nc2ccc(F)cc2s1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-phenoxybenzamide;hydrochloride?
The InChIKey is UWLBSLOMAJRMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN3O3S.ClH/c28-20-11-12-23-25(19-20)35-27(29-23)31(14-6-13-30-15-17-33-18-16-30)26(32)22-9-4-5-10-24(22)34-21-7-2-1-3-8-21;/h1-5,7-12,19H,6,13-18H2;1H.
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-phenoxybenzamide;hydrochloride?
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-phenoxybenzamide;hydrochloride has a molecular weight of 528.05 g/mol, XLogP of 6.02, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-phenoxybenzamide;hydrochloride is sourced from PubChem (CID 44935755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).