N-[2-[4-[(5-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine

C24H22N4S2 — CID 46879738

IUPACN-[2-[4-[(5-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine
SMILESc1ccc(C2CN=C(Nc3ccc(CCNc4nc5ccccc5s4)cc3)S2)cc1
InChIInChI=1S/C24H22N4S2/c1-2-6-18(7-3-1)22-16-26-24(30-22)27-19-12-10-17(11-13-19)14-15-25-23-28-20-8-4-5-9-21(20)29-23/h1-13,22H,14-16H2,(H,25,28)(H,26,27)
InChIKeyVBZZYACSDBLVFJ-UHFFFAOYSA-N
MW430.60 g/mol
LogP6.21
Rot. Bonds6

About N-[2-[4-[(5-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine

N-[2-[4-[(5-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine (PubChem CID 46879738) has the molecular formula C24H22N4S2 and a molecular weight of 430.60 g/mol. Its IUPAC name is N-[2-[4-[(5-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[2-[4-[(5-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine
PubChem CID46879738
Molecular FormulaC24H22N4S2
Molecular Weight430.60 g/mol
Exact Mass430.13
IUPAC NameN-[2-[4-[(5-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine
SMILESc1ccc(C2CN=C(Nc3ccc(CCNc4nc5ccccc5s4)cc3)S2)cc1
InChIInChI=1S/C24H22N4S2/c1-2-6-18(7-3-1)22-16-26-24(30-22)27-19-12-10-17(11-13-19)14-15-25-23-28-20-8-4-5-9-21(20)29-23/h1-13,22H,14-16H2,(H,25,28)(H,26,27)
InChIKeyVBZZYACSDBLVFJ-UHFFFAOYSA-N
XLogP6.21
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.60
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[4-[(5-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine with MolForge

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Related Compounds

N-[2-[4-[[(4R)-4-ethyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethyl]-1,3-benzothiazol-2-amine
CID 46879650
(4S)-2-[4-[2-(1,3-benzothiazol-2-ylamino)ethyl]anilino]-4-methyl-4H-1,3-thiazol-5-one
CID 58628098
N-[2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine
CID 58627877
N-[2-[4-[[4-(2-phosphanylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethyl]-1,3-benzothiazol-2-amine
CID 143137295
6-methylsulfonyl-N-[2-[4-[[(4S)-4-phenyl-4,5-dihydro-1,3-thiazol-2-yl]amino]phenyl]ethyl]-1,3-benzothiazol-2-amine
CID 58628117
N-[2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethyl]-4-methyl-1,3-benzothiazol-2-amine
CID 46879453
N-benzyl-1,3-benzothiazol-2-amine
CID 617555
N-[4-[[4-(1,3-benzothiazol-2-ylamino)phenyl]methyl]phenyl]-1,3-benzothiazol-2-amine
CID 14688876
(4S)-4-benzyl-2-[4-[2-[(6-chloro-1,3-benzothiazol-2-yl)amino]ethyl]anilino]-4H-1,3-thiazol-5-one
CID 59852381
N-[[4-(2-aminoethyl)phenyl]methyl]-1,3-benzothiazol-2-amine
CID 62503193
(4S)-2-[4-[2-(1,3-benzothiazol-2-ylamino)ethyl]anilino]-1-benzoyl-4-[(4-hydroxyphenyl)methyl]-4H-imidazol-5-one
CID 58628033
[2-[4-[2-(1,3-benzothiazol-2-ylamino)ethyl]anilino]-4-(cyclohexylmethyl)-5-hydroxyimidazol-1-yl]-phenylmethanone
CID 91027080

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(5-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[2-[4-[(5-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine (CID 46879738) is N-[2-[4-[(5-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[2-[4-[(5-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[2-[4-[(5-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine is c1ccc(C2CN=C(Nc3ccc(CCNc4nc5ccccc5s4)cc3)S2)cc1.
What is the InChIKey of N-[2-[4-[(5-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine?
The InChIKey is VBZZYACSDBLVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4S2/c1-2-6-18(7-3-1)22-16-26-24(30-22)27-19-12-10-17(11-13-19)14-15-25-23-28-20-8-4-5-9-21(20)29-23/h1-13,22H,14-16H2,(H,25,28)(H,26,27).
What are the key properties of N-[2-[4-[(5-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine?
N-[2-[4-[(5-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine has a molecular weight of 430.60 g/mol, XLogP of 6.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(5-phenyl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]ethyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 46879738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).