N-[5-[1-(2-aminoethyl)benzimidazol-2-yl]-1,3-thiazol-2-yl]-3-cyanobenzamide

C20H16N6OS — CID 127042534

IUPACN-[5-[1-(2-aminoethyl)benzimidazol-2-yl]-1,3-thiazol-2-yl]-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)Nc2ncc(-c3nc4ccccc4n3CCN)s2)c1
InChIInChI=1S/C20H16N6OS/c21-8-9-26-16-7-2-1-6-15(16)24-18(26)17-12-23-20(28-17)25-19(27)14-5-3-4-13(10-14)11-22/h1-7,10,12H,8-9,21H2,(H,23,25,27)
InChIKeyCQBUNVICIJIFOC-UHFFFAOYSA-N
MW388.46 g/mol
LogP3.24
Rot. Bonds5

About N-[5-[1-(2-aminoethyl)benzimidazol-2-yl]-1,3-thiazol-2-yl]-3-cyanobenzamide

N-[5-[1-(2-aminoethyl)benzimidazol-2-yl]-1,3-thiazol-2-yl]-3-cyanobenzamide (PubChem CID 127042534) has the molecular formula C20H16N6OS and a molecular weight of 388.46 g/mol. Its IUPAC name is N-[5-[1-(2-aminoethyl)benzimidazol-2-yl]-1,3-thiazol-2-yl]-3-cyanobenzamide.

Molecular Properties

Compound NameN-[5-[1-(2-aminoethyl)benzimidazol-2-yl]-1,3-thiazol-2-yl]-3-cyanobenzamide
PubChem CID127042534
Molecular FormulaC20H16N6OS
Molecular Weight388.46 g/mol
Exact Mass388.11
IUPAC NameN-[5-[1-(2-aminoethyl)benzimidazol-2-yl]-1,3-thiazol-2-yl]-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)Nc2ncc(-c3nc4ccccc4n3CCN)s2)c1
InChIInChI=1S/C20H16N6OS/c21-8-9-26-16-7-2-1-6-15(16)24-18(26)17-12-23-20(28-17)25-19(27)14-5-3-4-13(10-14)11-22/h1-7,10,12H,8-9,21H2,(H,23,25,27)
InChIKeyCQBUNVICIJIFOC-UHFFFAOYSA-N
XLogP3.24
TPSA109.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[12-Methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]benzamide
CID 20823952
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 25190532
2-{3-[12-Methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]phenyl}acetamide
CID 25093453
3-{3-[12-Methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]phenyl}propanamide
CID 25093455
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-1,3-thiazole-5-carboxamide
CID 25190513
N-Phenethyl-2-(2-thiazol-5-yl-benzoimidazol-1-yl)-acetamide
CID 611858
3-[1-(3-cyanophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 24954421
3-[1-(4-cyanophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 24954793
2,2-dimethyl-3-phenyl-3-(3-phenylimidazo[1,5-a]pyridin-7-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 59419641
N-(3-{[2-(acetylamino)[1,3]thiazolo[5,4-d]pyrimidin-5-yl]amino}-4-methylphenyl)-3-(2-cyanoethyl)benzamide
CID 59507062
N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 71455173
7-cyano-N-[[3-[[(6S)-6-(dimethylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 84973053

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(2-aminoethyl)benzimidazol-2-yl]-1,3-thiazol-2-yl]-3-cyanobenzamide?
The IUPAC name of N-[5-[1-(2-aminoethyl)benzimidazol-2-yl]-1,3-thiazol-2-yl]-3-cyanobenzamide (CID 127042534) is N-[5-[1-(2-aminoethyl)benzimidazol-2-yl]-1,3-thiazol-2-yl]-3-cyanobenzamide.
What is the SMILES notation for N-[5-[1-(2-aminoethyl)benzimidazol-2-yl]-1,3-thiazol-2-yl]-3-cyanobenzamide?
The canonical SMILES for N-[5-[1-(2-aminoethyl)benzimidazol-2-yl]-1,3-thiazol-2-yl]-3-cyanobenzamide is N#Cc1cccc(C(=O)Nc2ncc(-c3nc4ccccc4n3CCN)s2)c1.
What is the InChIKey of N-[5-[1-(2-aminoethyl)benzimidazol-2-yl]-1,3-thiazol-2-yl]-3-cyanobenzamide?
The InChIKey is CQBUNVICIJIFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6OS/c21-8-9-26-16-7-2-1-6-15(16)24-18(26)17-12-23-20(28-17)25-19(27)14-5-3-4-13(10-14)11-22/h1-7,10,12H,8-9,21H2,(H,23,25,27).
What are the key properties of N-[5-[1-(2-aminoethyl)benzimidazol-2-yl]-1,3-thiazol-2-yl]-3-cyanobenzamide?
N-[5-[1-(2-aminoethyl)benzimidazol-2-yl]-1,3-thiazol-2-yl]-3-cyanobenzamide has a molecular weight of 388.46 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(2-aminoethyl)benzimidazol-2-yl]-1,3-thiazol-2-yl]-3-cyanobenzamide is sourced from PubChem (CID 127042534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).