4-[[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine

C17H16N6S — CID 50983575

IUPAC4-[[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCc1ncc(-c2c(-c3ccccc3)ncn2Cc2csc(N)n2)[nH]1
InChIInChI=1S/C17H16N6S/c1-11-19-7-14(21-11)16-15(12-5-3-2-4-6-12)20-10-23(16)8-13-9-24-17(18)22-13/h2-7,9-10H,8H2,1H3,(H2,18,22)(H,19,21)
InChIKeyYBWJZDRYIAXRBO-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.34
Rot. Bonds4

About 4-[[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine

4-[[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 50983575) has the molecular formula C17H16N6S and a molecular weight of 336.42 g/mol. Its IUPAC name is 4-[[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID50983575
Molecular FormulaC17H16N6S
Molecular Weight336.42 g/mol
Exact Mass336.12
IUPAC Name4-[[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCc1ncc(-c2c(-c3ccccc3)ncn2Cc2csc(N)n2)[nH]1
InChIInChI=1S/C17H16N6S/c1-11-19-7-14(21-11)16-15(12-5-3-2-4-6-12)20-10-23(16)8-13-9-24-17(18)22-13/h2-7,9-10H,8H2,1H3,(H2,18,22)(H,19,21)
InChIKeyYBWJZDRYIAXRBO-UHFFFAOYSA-N
XLogP3.34
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine (CID 50983575) is 4-[[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine is Cc1ncc(-c2c(-c3ccccc3)ncn2Cc2csc(N)n2)[nH]1.
What is the InChIKey of 4-[[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is YBWJZDRYIAXRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6S/c1-11-19-7-14(21-11)16-15(12-5-3-2-4-6-12)20-10-23(16)8-13-9-24-17(18)22-13/h2-7,9-10H,8H2,1H3,(H2,18,22)(H,19,21).
What are the key properties of 4-[[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine?
4-[[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 336.42 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2-methyl-1H-imidazol-5-yl)-4-phenylimidazol-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 50983575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).