N-(6-cyano-1,3-benzothiazol-2-yl)-3-(3-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide

C23H17FN4O2S — CID 162380065

IUPACN-(6-cyano-1,3-benzothiazol-2-yl)-3-(3-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
SMILESN#Cc1ccc2nc(N(Cc3cccnc3)C(=O)CCOc3cccc(F)c3)sc2c1
InChIInChI=1S/C23H17FN4O2S/c24-18-4-1-5-19(12-18)30-10-8-22(29)28(15-17-3-2-9-26-14-17)23-27-20-7-6-16(13-25)11-21(20)31-23/h1-7,9,11-12,14H,8,10,15H2
InChIKeySMHGEOSUBLCUIO-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.70
Rot. Bonds7

About N-(6-cyano-1,3-benzothiazol-2-yl)-3-(3-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide

N-(6-cyano-1,3-benzothiazol-2-yl)-3-(3-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 162380065) has the molecular formula C23H17FN4O2S and a molecular weight of 432.48 g/mol. Its IUPAC name is N-(6-cyano-1,3-benzothiazol-2-yl)-3-(3-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(6-cyano-1,3-benzothiazol-2-yl)-3-(3-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID162380065
Molecular FormulaC23H17FN4O2S
Molecular Weight432.48 g/mol
Exact Mass432.11
IUPAC NameN-(6-cyano-1,3-benzothiazol-2-yl)-3-(3-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
SMILESN#Cc1ccc2nc(N(Cc3cccnc3)C(=O)CCOc3cccc(F)c3)sc2c1
InChIInChI=1S/C23H17FN4O2S/c24-18-4-1-5-19(12-18)30-10-8-22(29)28(15-17-3-2-9-26-14-17)23-27-20-7-6-16(13-25)11-21(20)31-23/h1-7,9,11-12,14H,8,10,15H2
InChIKeySMHGEOSUBLCUIO-UHFFFAOYSA-N
XLogP4.70
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 43966768
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide
CID 40983620
N-(5-fluoro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide
CID 162380507
4-butoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 40983059
N-(5-fluoro-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-4-ylmethyl)propanamide
CID 162380437
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 43966767
N-(4-methoxy-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide
CID 40508231
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 43966724
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide
CID 40508156
3-phenoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 16939256
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfanyl-N-(pyridin-3-ylmethyl)acetamide
CID 41319090
N-(1,3-benzothiazol-2-yl)-2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 43967171

Frequently Asked Questions

What is the IUPAC name of N-(6-cyano-1,3-benzothiazol-2-yl)-3-(3-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of N-(6-cyano-1,3-benzothiazol-2-yl)-3-(3-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide (CID 162380065) is N-(6-cyano-1,3-benzothiazol-2-yl)-3-(3-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for N-(6-cyano-1,3-benzothiazol-2-yl)-3-(3-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for N-(6-cyano-1,3-benzothiazol-2-yl)-3-(3-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide is N#Cc1ccc2nc(N(Cc3cccnc3)C(=O)CCOc3cccc(F)c3)sc2c1.
What is the InChIKey of N-(6-cyano-1,3-benzothiazol-2-yl)-3-(3-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is SMHGEOSUBLCUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O2S/c24-18-4-1-5-19(12-18)30-10-8-22(29)28(15-17-3-2-9-26-14-17)23-27-20-7-6-16(13-25)11-21(20)31-23/h1-7,9,11-12,14H,8,10,15H2.
What are the key properties of N-(6-cyano-1,3-benzothiazol-2-yl)-3-(3-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide?
N-(6-cyano-1,3-benzothiazol-2-yl)-3-(3-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 432.48 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyano-1,3-benzothiazol-2-yl)-3-(3-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 162380065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).