3,4-difluoro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide

C21H20F3N3O2S — CID 43999926

IUPAC3,4-difluoro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(c1ccc(F)c(F)c1)N(CCCN1CCOCC1)c1nc2c(F)cccc2s1
InChIInChI=1S/C21H20F3N3O2S/c22-15-6-5-14(13-17(15)24)20(28)27(8-2-7-26-9-11-29-12-10-26)21-25-19-16(23)3-1-4-18(19)30-21/h1,3-6,13H,2,7-12H2
InChIKeyUQSMPUMFBSJWNR-UHFFFAOYSA-N
MW435.47 g/mol
LogP4.08
Rot. Bonds6

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

3,4-difluoro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 43999926) has the molecular formula C21H20F3N3O2S and a molecular weight of 435.47 g/mol. Its IUPAC name is 3,4-difluoro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID43999926
Molecular FormulaC21H20F3N3O2S
Molecular Weight435.47 g/mol
Exact Mass435.12
IUPAC Name3,4-difluoro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(c1ccc(F)c(F)c1)N(CCCN1CCOCC1)c1nc2c(F)cccc2s1
InChIInChI=1S/C21H20F3N3O2S/c22-15-6-5-14(13-17(15)24)20(28)27(8-2-7-26-9-11-29-12-10-26)21-25-19-16(23)3-1-4-18(19)30-21/h1,3-6,13H,2,7-12H2
InChIKeyUQSMPUMFBSJWNR-UHFFFAOYSA-N
XLogP4.08
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.47
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide;hydrochloride
CID 44934863
3-bromo-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 25319351
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)-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 7622447
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)quinoxaline-6-carboxamide
CID 43997985
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 44933048
N-(4-fluoro-1,3-benzothiazol-2-yl)-2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
CID 44934888
N-(4-fluoro-1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 16802572
N-(4-fluoro-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 7622457
4-[bis(2-methylpropyl)sulfamoyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43998731
4-chloro-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 29068895
2,5-dichloro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 44933068

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 3,4-difluoro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide (CID 43999926) is 3,4-difluoro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 3,4-difluoro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 3,4-difluoro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide is O=C(c1ccc(F)c(F)c1)N(CCCN1CCOCC1)c1nc2c(F)cccc2s1.
What is the InChIKey of 3,4-difluoro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is UQSMPUMFBSJWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O2S/c22-15-6-5-14(13-17(15)24)20(28)27(8-2-7-26-9-11-29-12-10-26)21-25-19-16(23)3-1-4-18(19)30-21/h1,3-6,13H,2,7-12H2.
What are the key properties of 3,4-difluoro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide?
3,4-difluoro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 435.47 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 43999926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).