N-(1H-benzimidazol-2-yl)-4-naphthalen-2-yl-1,3-thiazol-2-amine

C20H14N4S — CID 108774105

IUPACN-(1H-benzimidazol-2-yl)-4-naphthalen-2-yl-1,3-thiazol-2-amine
SMILESc1ccc2cc(-c3csc(Nc4nc5ccccc5[nH]4)n3)ccc2c1
InChIInChI=1S/C20H14N4S/c1-2-6-14-11-15(10-9-13(14)5-1)18-12-25-20(23-18)24-19-21-16-7-3-4-8-17(16)22-19/h1-12H,(H2,21,22,23,24)
InChIKeyITZQIKPYLNPCDJ-UHFFFAOYSA-N
MW342.43 g/mol
LogP5.58
Rot. Bonds3

About N-(1H-benzimidazol-2-yl)-4-naphthalen-2-yl-1,3-thiazol-2-amine

N-(1H-benzimidazol-2-yl)-4-naphthalen-2-yl-1,3-thiazol-2-amine (PubChem CID 108774105) has the molecular formula C20H14N4S and a molecular weight of 342.43 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-4-naphthalen-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-4-naphthalen-2-yl-1,3-thiazol-2-amine
PubChem CID108774105
Molecular FormulaC20H14N4S
Molecular Weight342.43 g/mol
Exact Mass342.09
IUPAC NameN-(1H-benzimidazol-2-yl)-4-naphthalen-2-yl-1,3-thiazol-2-amine
SMILESc1ccc2cc(-c3csc(Nc4nc5ccccc5[nH]4)n3)ccc2c1
InChIInChI=1S/C20H14N4S/c1-2-6-14-11-15(10-9-13(14)5-1)18-12-25-20(23-18)24-19-21-16-7-3-4-8-17(16)22-19/h1-12H,(H2,21,22,23,24)
InChIKeyITZQIKPYLNPCDJ-UHFFFAOYSA-N
XLogP5.58
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.43
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-naphthalen-2-yl-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine
CID 58911073
3-(1H-benzimidazol-2-ylsulfanyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)propanamide
CID 23889540
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 108733420
N-(4,6-dimethylpyrimidin-2-yl)-4-naphthalen-2-yl-1,3-thiazol-2-amine
CID 108774081
N-(2,4-dimethylphenyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine
CID 2132345
N-[3,5-bis(trifluoromethyl)phenyl]-4-naphthalen-2-yl-1,3-thiazol-2-amine
CID 2803721
4-naphthalen-2-yl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
CID 5062671
4-naphthalen-2-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 2249396
1-N,4-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 5130675
N-[3-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 84564819
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 5234678
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 7917223

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-4-naphthalen-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(1H-benzimidazol-2-yl)-4-naphthalen-2-yl-1,3-thiazol-2-amine (CID 108774105) is N-(1H-benzimidazol-2-yl)-4-naphthalen-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-4-naphthalen-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-4-naphthalen-2-yl-1,3-thiazol-2-amine is c1ccc2cc(-c3csc(Nc4nc5ccccc5[nH]4)n3)ccc2c1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-4-naphthalen-2-yl-1,3-thiazol-2-amine?
The InChIKey is ITZQIKPYLNPCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4S/c1-2-6-14-11-15(10-9-13(14)5-1)18-12-25-20(23-18)24-19-21-16-7-3-4-8-17(16)22-19/h1-12H,(H2,21,22,23,24).
What are the key properties of N-(1H-benzimidazol-2-yl)-4-naphthalen-2-yl-1,3-thiazol-2-amine?
N-(1H-benzimidazol-2-yl)-4-naphthalen-2-yl-1,3-thiazol-2-amine has a molecular weight of 342.43 g/mol, XLogP of 5.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-4-naphthalen-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 108774105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).