5-N-(1-imidazol-1-ylpropan-2-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine

C13H16N6S2 — CID 103348980

IUPAC5-N-(1-imidazol-1-ylpropan-2-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
SMILESCc1csc(-c2c(N)nsc2NC(C)Cn2ccnc2)n1
InChIInChI=1S/C13H16N6S2/c1-8(5-19-4-3-15-7-19)16-13-10(11(14)18-21-13)12-17-9(2)6-20-12/h3-4,6-8,16H,5H2,1-2H3,(H2,14,18)
InChIKeyAULIYOHPMXMYLI-UHFFFAOYSA-N
MW320.45 g/mol
LogP2.85
Rot. Bonds5

About 5-N-(1-imidazol-1-ylpropan-2-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine

5-N-(1-imidazol-1-ylpropan-2-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine (PubChem CID 103348980) has the molecular formula C13H16N6S2 and a molecular weight of 320.45 g/mol. Its IUPAC name is 5-N-(1-imidazol-1-ylpropan-2-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(1-imidazol-1-ylpropan-2-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
PubChem CID103348980
Molecular FormulaC13H16N6S2
Molecular Weight320.45 g/mol
Exact Mass320.09
IUPAC Name5-N-(1-imidazol-1-ylpropan-2-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
SMILESCc1csc(-c2c(N)nsc2NC(C)Cn2ccnc2)n1
InChIInChI=1S/C13H16N6S2/c1-8(5-19-4-3-15-7-19)16-13-10(11(14)18-21-13)12-17-9(2)6-20-12/h3-4,6-8,16H,5H2,1-2H3,(H2,14,18)
InChIKeyAULIYOHPMXMYLI-UHFFFAOYSA-N
XLogP2.85
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.45
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-N-(1-imidazol-1-ylpropan-2-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(1-imidazol-1-ylpropan-2-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine (CID 103348980) is 5-N-(1-imidazol-1-ylpropan-2-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(1-imidazol-1-ylpropan-2-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(1-imidazol-1-ylpropan-2-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine is Cc1csc(-c2c(N)nsc2NC(C)Cn2ccnc2)n1.
What is the InChIKey of 5-N-(1-imidazol-1-ylpropan-2-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine?
The InChIKey is AULIYOHPMXMYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6S2/c1-8(5-19-4-3-15-7-19)16-13-10(11(14)18-21-13)12-17-9(2)6-20-12/h3-4,6-8,16H,5H2,1-2H3,(H2,14,18).
What are the key properties of 5-N-(1-imidazol-1-ylpropan-2-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine?
5-N-(1-imidazol-1-ylpropan-2-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine has a molecular weight of 320.45 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1-imidazol-1-ylpropan-2-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103348980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).