[2-(3,5-dimethyl-7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazol-4-yl]methanamine

C11H13N5S — CID 82383832

IUPAC[2-(3,5-dimethyl-7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazol-4-yl]methanamine
SMILESCc1cnc2[nH]c(-c3nc(CN)cs3)c(C)n12
InChIInChI=1S/C11H13N5S/c1-6-4-13-11-15-9(7(2)16(6)11)10-14-8(3-12)5-17-10/h4-5H,3,12H2,1-2H3,(H,13,15)
InChIKeyPHUVFEOQBMIWCT-UHFFFAOYSA-N
MW247.33 g/mol
LogP1.86
Rot. Bonds2

About [2-(3,5-dimethyl-7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazol-4-yl]methanamine

[2-(3,5-dimethyl-7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazol-4-yl]methanamine (PubChem CID 82383832) has the molecular formula C11H13N5S and a molecular weight of 247.33 g/mol. Its IUPAC name is [2-(3,5-dimethyl-7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(3,5-dimethyl-7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazol-4-yl]methanamine
PubChem CID82383832
Molecular FormulaC11H13N5S
Molecular Weight247.33 g/mol
Exact Mass247.09
IUPAC Name[2-(3,5-dimethyl-7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazol-4-yl]methanamine
SMILESCc1cnc2[nH]c(-c3nc(CN)cs3)c(C)n12
InChIInChI=1S/C11H13N5S/c1-6-4-13-11-15-9(7(2)16(6)11)10-14-8(3-12)5-17-10/h4-5H,3,12H2,1-2H3,(H,13,15)
InChIKeyPHUVFEOQBMIWCT-UHFFFAOYSA-N
XLogP1.86
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethyl-7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-(3,5-dimethyl-7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazol-4-yl]methanamine (CID 82383832) is [2-(3,5-dimethyl-7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-(3,5-dimethyl-7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-(3,5-dimethyl-7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazol-4-yl]methanamine is Cc1cnc2[nH]c(-c3nc(CN)cs3)c(C)n12.
What is the InChIKey of [2-(3,5-dimethyl-7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazol-4-yl]methanamine?
The InChIKey is PHUVFEOQBMIWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5S/c1-6-4-13-11-15-9(7(2)16(6)11)10-14-8(3-12)5-17-10/h4-5H,3,12H2,1-2H3,(H,13,15).
What are the key properties of [2-(3,5-dimethyl-7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazol-4-yl]methanamine?
[2-(3,5-dimethyl-7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazol-4-yl]methanamine has a molecular weight of 247.33 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethyl-7H-imidazo[1,2-a]imidazol-6-yl)-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 82383832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).