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

C23H27ClFN3O2S — CID 44934888

IUPACN-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
SMILESCc1ccc(C(=O)N(CCCN2CCOCC2)c2nc3c(F)cccc3s2)c(C)c1.Cl
InChIInChI=1S/C23H26FN3O2S.ClH/c1-16-7-8-18(17(2)15-16)22(28)27(10-4-9-26-11-13-29-14-12-26)23-25-21-19(24)5-3-6-20(21)30-23;/h3,5-8,15H,4,9-14H2,1-2H3;1H
InChIKeyIRODXBWCPDOGNM-UHFFFAOYSA-N
MW464.01 g/mol
LogP4.84
Rot. Bonds6

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

N-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride (PubChem CID 44934888) has the molecular formula C23H27ClFN3O2S and a molecular weight of 464.01 g/mol. Its IUPAC name is N-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
PubChem CID44934888
Molecular FormulaC23H27ClFN3O2S
Molecular Weight464.01 g/mol
Exact Mass463.15
IUPAC NameN-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
SMILESCc1ccc(C(=O)N(CCCN2CCOCC2)c2nc3c(F)cccc3s2)c(C)c1.Cl
InChIInChI=1S/C23H26FN3O2S.ClH/c1-16-7-8-18(17(2)15-16)22(28)27(10-4-9-26-11-13-29-14-12-26)23-25-21-19(24)5-3-6-20(21)30-23;/h3,5-8,15H,4,9-14H2,1-2H3;1H
InChIKeyIRODXBWCPDOGNM-UHFFFAOYSA-N
XLogP4.84
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.01
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-(4-fluoro-1,3-benzothiazol-2-yl)-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 7622447
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide;hydrochloride
CID 44934863
3,4-difluoro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43999926
N-(4-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 16802572
2-ethylsulfonyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 18581710
2,5-dichloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 44933068
2-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-5-nitrobenzamide
CID 29069865
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylsulfanyl-N-(2-morpholin-4-ylethyl)benzamide
CID 18583161
4-acetyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 29137701
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 44933048
2,4-dichloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 29072290
2-chloro-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
CID 44935945

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride?
The IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride (CID 44934888) is N-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride.
What is the SMILES notation for N-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride?
The canonical SMILES for N-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride is Cc1ccc(C(=O)N(CCCN2CCOCC2)c2nc3c(F)cccc3s2)c(C)c1.Cl.
What is the InChIKey of N-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride?
The InChIKey is IRODXBWCPDOGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2S.ClH/c1-16-7-8-18(17(2)15-16)22(28)27(10-4-9-26-11-13-29-14-12-26)23-25-21-19(24)5-3-6-20(21)30-23;/h3,5-8,15H,4,9-14H2,1-2H3;1H.
What are the key properties of N-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride?
N-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride has a molecular weight of 464.01 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride is sourced from PubChem (CID 44934888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).