N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide

C20H20FN3OS — CID 7163152

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
SMILESO=C(C1CCCCC1)N(Cc1cccnc1)c1nc2ccc(F)cc2s1
InChIInChI=1S/C20H20FN3OS/c21-16-8-9-17-18(11-16)26-20(23-17)24(13-14-5-4-10-22-12-14)19(25)15-6-2-1-3-7-15/h4-5,8-12,15H,1-3,6-7,13H2
InChIKeyQTKNMWPRIAHBLL-UHFFFAOYSA-N
MW369.46 g/mol
LogP4.94
Rot. Bonds4

About N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide (PubChem CID 7163152) has the molecular formula C20H20FN3OS and a molecular weight of 369.46 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
PubChem CID7163152
Molecular FormulaC20H20FN3OS
Molecular Weight369.46 g/mol
Exact Mass369.13
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
SMILESO=C(C1CCCCC1)N(Cc1cccnc1)c1nc2ccc(F)cc2s1
InChIInChI=1S/C20H20FN3OS/c21-16-8-9-17-18(11-16)26-20(23-17)24(13-14-5-4-10-22-12-14)19(25)15-6-2-1-3-7-15/h4-5,8-12,15H,1-3,6-7,13H2
InChIKeyQTKNMWPRIAHBLL-UHFFFAOYSA-N
XLogP4.94
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyridine and pyrimidine derivative 1
CID 71543359
N-(4-methylbenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
CID 16032589
N-[Benzo[d]thiazol-2-yl]nicotinamide
CID 571618
(1s,2s)-2-{4-[(Dimethylamino)methyl]phenyl}-N-[6-(Pyridin-3-Yl)-1,3-Benzothiazol-2-Yl]cyclopropanecarboxamide
CID 71777716
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide
CID 2486876
1-[4-(6-Fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]pentan-1-one
CID 7539142
N-(4-fluorobenzo[d]thiazol-2-yl)-3-(phenylsulfonyl)-N-(pyridin-3-ylmethyl)propanamide
CID 16032366
N-(4,6-difluorobenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide
CID 16032522
N-(6-fluorobenzo[d]thiazol-2-yl)-3-(phenylsulfonyl)-N-(pyridin-3-ylmethyl)propanamide
CID 16032554
N-(6-ethylbenzo[d]thiazol-2-yl)-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 16032581
4-fluoro-N-methyl-N-(4-(pyridin-4-yl)thiazol-2-yl)benzamide
CID 16661726
N-ethyl-4-fluoro-N-(4-(pyridin-2-yl)thiazol-2-yl)benzamide
CID 16661728

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide (CID 7163152) is N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide is O=C(C1CCCCC1)N(Cc1cccnc1)c1nc2ccc(F)cc2s1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide?
The InChIKey is QTKNMWPRIAHBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3OS/c21-16-8-9-17-18(11-16)26-20(23-17)24(13-14-5-4-10-22-12-14)19(25)15-6-2-1-3-7-15/h4-5,8-12,15H,1-3,6-7,13H2.
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide has a molecular weight of 369.46 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)cyclohexanecarboxamide is sourced from PubChem (CID 7163152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).