N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-6-phenylpyridazin-3-amine

C26H20N4S — CID 108779606

IUPACN-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-6-phenylpyridazin-3-amine
SMILESCc1ccccc1-c1nc(-c2ccc(Nc3ccc(-c4ccccc4)nn3)cc2)cs1
InChIInChI=1S/C26H20N4S/c1-18-7-5-6-10-22(18)26-28-24(17-31-26)20-11-13-21(14-12-20)27-25-16-15-23(29-30-25)19-8-3-2-4-9-19/h2-17H,1H3,(H,27,30)
InChIKeySRRPQKSZZJYJND-UHFFFAOYSA-N
MW420.54 g/mol
LogP6.99
Rot. Bonds5

About N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-6-phenylpyridazin-3-amine

N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-6-phenylpyridazin-3-amine (PubChem CID 108779606) has the molecular formula C26H20N4S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-6-phenylpyridazin-3-amine.

Molecular Properties

Compound NameN-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-6-phenylpyridazin-3-amine
PubChem CID108779606
Molecular FormulaC26H20N4S
Molecular Weight420.54 g/mol
Exact Mass420.14
IUPAC NameN-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-6-phenylpyridazin-3-amine
SMILESCc1ccccc1-c1nc(-c2ccc(Nc3ccc(-c4ccccc4)nn3)cc2)cs1
InChIInChI=1S/C26H20N4S/c1-18-7-5-6-10-22(18)26-28-24(17-31-26)20-11-13-21(14-12-20)27-25-16-15-23(29-30-25)19-8-3-2-4-9-19/h2-17H,1H3,(H,27,30)
InChIKeySRRPQKSZZJYJND-UHFFFAOYSA-N
XLogP6.99
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.54
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-methyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]pyrimidin-4-amine
CID 108779624
N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-7H-purin-6-amine
CID 108779625
6-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyridazin-3-amine
CID 108779736
N-(4-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2255838
2-(2-methylphenyl)-5-(4-phenyl-1,3-thiazol-2-yl)benzoic acid
CID 89470594
2-bromo-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]butanamide
CID 108748042
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 108748089
N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-phenylbutanamide
CID 108748072
2-(4-bromophenyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 108748097
5-[(4-chlorophenyl)methyl]-2,6-dimethyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]pyrimidin-4-amine
CID 108779643
4-(3-bromophenyl)-2-(2-methylphenyl)-1,3-thiazole
CID 78908720
5-methyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide
CID 108748108

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-6-phenylpyridazin-3-amine?
The IUPAC name of N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-6-phenylpyridazin-3-amine (CID 108779606) is N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-6-phenylpyridazin-3-amine.
What is the SMILES notation for N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-6-phenylpyridazin-3-amine?
The canonical SMILES for N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-6-phenylpyridazin-3-amine is Cc1ccccc1-c1nc(-c2ccc(Nc3ccc(-c4ccccc4)nn3)cc2)cs1.
What is the InChIKey of N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-6-phenylpyridazin-3-amine?
The InChIKey is SRRPQKSZZJYJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4S/c1-18-7-5-6-10-22(18)26-28-24(17-31-26)20-11-13-21(14-12-20)27-25-16-15-23(29-30-25)19-8-3-2-4-9-19/h2-17H,1H3,(H,27,30).
What are the key properties of N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-6-phenylpyridazin-3-amine?
N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-6-phenylpyridazin-3-amine has a molecular weight of 420.54 g/mol, XLogP of 6.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-6-phenylpyridazin-3-amine is sourced from PubChem (CID 108779606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).