N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide

C20H16ClFN4OS — CID 18589857

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide
SMILESO=C(c1ccc(F)cc1)N(CCCn1ccnc1)c1nc2ccc(Cl)cc2s1
InChIInChI=1S/C20H16ClFN4OS/c21-15-4-7-17-18(12-15)28-20(24-17)26(10-1-9-25-11-8-23-13-25)19(27)14-2-5-16(22)6-3-14/h2-8,11-13H,1,9-10H2
InChIKeyFWMVZNGKNQKVIA-UHFFFAOYSA-N
MW414.89 g/mol
LogP5.02
Rot. Bonds6

About N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide

N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide (PubChem CID 18589857) has the molecular formula C20H16ClFN4OS and a molecular weight of 414.89 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide
PubChem CID18589857
Molecular FormulaC20H16ClFN4OS
Molecular Weight414.89 g/mol
Exact Mass414.07
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide
SMILESO=C(c1ccc(F)cc1)N(CCCn1ccnc1)c1nc2ccc(Cl)cc2s1
InChIInChI=1S/C20H16ClFN4OS/c21-15-4-7-17-18(12-15)28-20(24-17)26(10-1-9-25-11-8-23-13-25)19(27)14-2-5-16(22)6-3-14/h2-8,11-13H,1,9-10H2
InChIKeyFWMVZNGKNQKVIA-UHFFFAOYSA-N
XLogP5.02
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.89
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(diethylamino)ethyl]-2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 16018572
13-(4-Chlorophenyl)-3-methyl-10-thia-3,5,8,13,15-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,4,6,8,11(16),14-hexaen-12-one
CID 16659964
N-(4-chlorobenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 16032368
N-[(1S,2S)-2-[(6-Chloro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2-(2H-1,2,3-triazol-2-yl)benzamide
CID 122438685
N-(1,3-Benzothiazol-2-YL)-2-({1-[(4-chlorophenyl)methyl]-1H-imidazol-2-YL}sulfanyl)acetamide
CID 7151077
4-acetyl-N-(4-chlorobenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 16032385
4-acetyl-N-(6-chlorobenzo[d]thiazol-2-yl)-N-(2-(diethylamino)ethyl)benzamide hydrochloride
CID 16194766
3-chloro-2-methyl-N-[5-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]benzamide
CID 127042532
N-(6-chloro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
CID 7163153
7-{[2-Chloro-3-(trifluoromethyl)phenyl]carbonyl}-3-(1,3-thiazol-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 66599248
US8765750, Reference Example 16
CID 86766408
N-[(1S,2S)-2-[(6-Fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-2-(1H-imidazol-1-yl)benzamide
CID 122438759

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide (CID 18589857) is N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide is O=C(c1ccc(F)cc1)N(CCCn1ccnc1)c1nc2ccc(Cl)cc2s1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide?
The InChIKey is FWMVZNGKNQKVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4OS/c21-15-4-7-17-18(12-15)28-20(24-17)26(10-1-9-25-11-8-23-13-25)19(27)14-2-5-16(22)6-3-14/h2-8,11-13H,1,9-10H2.
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide has a molecular weight of 414.89 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide is sourced from PubChem (CID 18589857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).