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

C20H17N5S — CID 155538750

IUPAC4-[amino(phenyl)methyl]-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine
SMILESNC(c1ccccc1)c1csc(Nc2ccc(-c3ccccc3)nn2)n1
InChIInChI=1S/C20H17N5S/c21-19(15-9-5-2-6-10-15)17-13-26-20(22-17)23-18-12-11-16(24-25-18)14-7-3-1-4-8-14/h1-13,19H,21H2,(H,22,23,25)
InChIKeyDHIOGLMUPIJHOF-UHFFFAOYSA-N
MW359.46 g/mol
LogP4.39
Rot. Bonds5

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

4-[amino(phenyl)methyl]-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine (PubChem CID 155538750) has the molecular formula C20H17N5S and a molecular weight of 359.46 g/mol. Its IUPAC name is 4-[amino(phenyl)methyl]-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[amino(phenyl)methyl]-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine
PubChem CID155538750
Molecular FormulaC20H17N5S
Molecular Weight359.46 g/mol
Exact Mass359.12
IUPAC Name4-[amino(phenyl)methyl]-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine
SMILESNC(c1ccccc1)c1csc(Nc2ccc(-c3ccccc3)nn2)n1
InChIInChI=1S/C20H17N5S/c21-19(15-9-5-2-6-10-15)17-13-26-20(22-17)23-18-12-11-16(24-25-18)14-7-3-1-4-8-14/h1-13,19H,21H2,(H,22,23,25)
InChIKeyDHIOGLMUPIJHOF-UHFFFAOYSA-N
XLogP4.39
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[amino(phenyl)methyl]-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[amino(phenyl)methyl]-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine (CID 155538750) is 4-[amino(phenyl)methyl]-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[amino(phenyl)methyl]-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[amino(phenyl)methyl]-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine is NC(c1ccccc1)c1csc(Nc2ccc(-c3ccccc3)nn2)n1.
What is the InChIKey of 4-[amino(phenyl)methyl]-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine?
The InChIKey is DHIOGLMUPIJHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5S/c21-19(15-9-5-2-6-10-15)17-13-26-20(22-17)23-18-12-11-16(24-25-18)14-7-3-1-4-8-14/h1-13,19H,21H2,(H,22,23,25).
What are the key properties of 4-[amino(phenyl)methyl]-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine?
4-[amino(phenyl)methyl]-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine has a molecular weight of 359.46 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(phenyl)methyl]-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 155538750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).