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

C20H16ClFN4OS — CID 18589859

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-3-fluoro-N-(3-imidazol-1-ylpropyl)benzamide
SMILESO=C(c1cccc(F)c1)N(CCCn1ccnc1)c1nc2ccc(Cl)cc2s1
InChIInChI=1S/C20H16ClFN4OS/c21-15-5-6-17-18(12-15)28-20(24-17)26(9-2-8-25-10-7-23-13-25)19(27)14-3-1-4-16(22)11-14/h1,3-7,10-13H,2,8-9H2
InChIKeyGSYHTGDLWKFYJV-UHFFFAOYSA-N
MW414.89 g/mol
LogP5.02
Rot. Bonds6

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

N-(6-chloro-1,3-benzothiazol-2-yl)-3-fluoro-N-(3-imidazol-1-ylpropyl)benzamide (PubChem CID 18589859) 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)-3-fluoro-N-(3-imidazol-1-ylpropyl)benzamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-3-fluoro-N-(3-imidazol-1-ylpropyl)benzamide
PubChem CID18589859
Molecular FormulaC20H16ClFN4OS
Molecular Weight414.89 g/mol
Exact Mass414.07
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-3-fluoro-N-(3-imidazol-1-ylpropyl)benzamide
SMILESO=C(c1cccc(F)c1)N(CCCn1ccnc1)c1nc2ccc(Cl)cc2s1
InChIInChI=1S/C20H16ClFN4OS/c21-15-5-6-17-18(12-15)28-20(24-17)26(9-2-8-25-10-7-23-13-25)19(27)14-3-1-4-16(22)11-14/h1,3-7,10-13H,2,8-9H2
InChIKeyGSYHTGDLWKFYJV-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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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-3-fluoro-N-(3-imidazol-1-ylpropyl)benzamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-3-fluoro-N-(3-imidazol-1-ylpropyl)benzamide (CID 18589859) is N-(6-chloro-1,3-benzothiazol-2-yl)-3-fluoro-N-(3-imidazol-1-ylpropyl)benzamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-3-fluoro-N-(3-imidazol-1-ylpropyl)benzamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-3-fluoro-N-(3-imidazol-1-ylpropyl)benzamide is O=C(c1cccc(F)c1)N(CCCn1ccnc1)c1nc2ccc(Cl)cc2s1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-3-fluoro-N-(3-imidazol-1-ylpropyl)benzamide?
The InChIKey is GSYHTGDLWKFYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4OS/c21-15-5-6-17-18(12-15)28-20(24-17)26(9-2-8-25-10-7-23-13-25)19(27)14-3-1-4-16(22)11-14/h1,3-7,10-13H,2,8-9H2.
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-3-fluoro-N-(3-imidazol-1-ylpropyl)benzamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-3-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)-3-fluoro-N-(3-imidazol-1-ylpropyl)benzamide is sourced from PubChem (CID 18589859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).