N-(1,3-benzothiazol-2-yl)-4-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide

C20H20FN3OS — CID 6487734

IUPACN-(1,3-benzothiazol-2-yl)-4-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(c1ccc(F)cc1)N(CCN1CCCC1)c1nc2ccccc2s1
InChIInChI=1S/C20H20FN3OS/c21-16-9-7-15(8-10-16)19(25)24(14-13-23-11-3-4-12-23)20-22-17-5-1-2-6-18(17)26-20/h1-2,5-10H,3-4,11-14H2
InChIKeyMVJSLDNQXMCRHY-UHFFFAOYSA-N
MW369.46 g/mol
LogP4.18
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-4-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide

N-(1,3-benzothiazol-2-yl)-4-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 6487734) has the molecular formula C20H20FN3OS and a molecular weight of 369.46 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID6487734
Molecular FormulaC20H20FN3OS
Molecular Weight369.46 g/mol
Exact Mass369.13
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(c1ccc(F)cc1)N(CCN1CCCC1)c1nc2ccccc2s1
InChIInChI=1S/C20H20FN3OS/c21-16-9-7-15(8-10-16)19(25)24(14-13-23-11-3-4-12-23)20-22-17-5-1-2-6-18(17)26-20/h1-2,5-10H,3-4,11-14H2
InChIKeyMVJSLDNQXMCRHY-UHFFFAOYSA-N
XLogP4.18
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-yl)-4-fluoro-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide
CID 7436713
N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 44922628
N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)benzamide
CID 43997109
N-(1,3-benzothiazol-2-yl)-N-(2-piperidin-1-ylethyl)furan-2-carboxamide
CID 1439044
N-(1,3-benzothiazol-2-yl)-4-(2,5-dioxopyrrolidin-1-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 44900146
N-(1,3-benzothiazol-2-yl)-3-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 7622225
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 7615664
N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-phenylbenzamide;hydrochloride
CID 44934172
N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3,5-dinitrobenzamide
CID 29137430
N-(1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 45283963
N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide;hydrochloride
CID 44934229
4-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride
CID 18576586

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 6487734) is N-(1,3-benzothiazol-2-yl)-4-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide is O=C(c1ccc(F)cc1)N(CCN1CCCC1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is MVJSLDNQXMCRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3OS/c21-16-9-7-15(8-10-16)19(25)24(14-13-23-11-3-4-12-23)20-22-17-5-1-2-6-18(17)26-20/h1-2,5-10H,3-4,11-14H2.
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide?
N-(1,3-benzothiazol-2-yl)-4-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 369.46 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-4-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 6487734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).