4-(1-amino-2-phenylethyl)-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine

C21H19N5S — CID 155562365

IUPAC4-(1-amino-2-phenylethyl)-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine
SMILESNC(Cc1ccccc1)c1csc(Nc2ccc(-c3ccccc3)nn2)n1
InChIInChI=1S/C21H19N5S/c22-17(13-15-7-3-1-4-8-15)19-14-27-21(23-19)24-20-12-11-18(25-26-20)16-9-5-2-6-10-16/h1-12,14,17H,13,22H2,(H,23,24,26)
InChIKeyDMDHKVVKZXBEFF-UHFFFAOYSA-N
MW373.49 g/mol
LogP4.59
Rot. Bonds6

About 4-(1-amino-2-phenylethyl)-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine

4-(1-amino-2-phenylethyl)-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine (PubChem CID 155562365) has the molecular formula C21H19N5S and a molecular weight of 373.49 g/mol. Its IUPAC name is 4-(1-amino-2-phenylethyl)-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-amino-2-phenylethyl)-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine
PubChem CID155562365
Molecular FormulaC21H19N5S
Molecular Weight373.49 g/mol
Exact Mass373.14
IUPAC Name4-(1-amino-2-phenylethyl)-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine
SMILESNC(Cc1ccccc1)c1csc(Nc2ccc(-c3ccccc3)nn2)n1
InChIInChI=1S/C21H19N5S/c22-17(13-15-7-3-1-4-8-15)19-14-27-21(23-19)24-20-12-11-18(25-26-20)16-9-5-2-6-10-16/h1-12,14,17H,13,22H2,(H,23,24,26)
InChIKeyDMDHKVVKZXBEFF-UHFFFAOYSA-N
XLogP4.59
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.49
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-phenylethyl)-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-amino-2-phenylethyl)-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine (CID 155562365) is 4-(1-amino-2-phenylethyl)-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-amino-2-phenylethyl)-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-amino-2-phenylethyl)-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine is NC(Cc1ccccc1)c1csc(Nc2ccc(-c3ccccc3)nn2)n1.
What is the InChIKey of 4-(1-amino-2-phenylethyl)-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine?
The InChIKey is DMDHKVVKZXBEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5S/c22-17(13-15-7-3-1-4-8-15)19-14-27-21(23-19)24-20-12-11-18(25-26-20)16-9-5-2-6-10-16/h1-12,14,17H,13,22H2,(H,23,24,26).
What are the key properties of 4-(1-amino-2-phenylethyl)-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine?
4-(1-amino-2-phenylethyl)-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine has a molecular weight of 373.49 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2-phenylethyl)-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 155562365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).