N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine

C18H18N6S — CID 25287488

IUPACN-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine
SMILESCc1ccccc1-c1cnnc(NCc2cn3c(C)c(C)sc3n2)n1
InChIInChI=1S/C18H18N6S/c1-11-6-4-5-7-15(11)16-9-20-23-17(22-16)19-8-14-10-24-12(2)13(3)25-18(24)21-14/h4-7,9-10H,8H2,1-3H3,(H,19,22,23)
InChIKeyMCIJHHDKWSRXMK-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.79
Rot. Bonds4

About N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine

N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine (PubChem CID 25287488) has the molecular formula C18H18N6S and a molecular weight of 350.45 g/mol. Its IUPAC name is N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine
PubChem CID25287488
Molecular FormulaC18H18N6S
Molecular Weight350.45 g/mol
Exact Mass350.13
IUPAC NameN-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine
SMILESCc1ccccc1-c1cnnc(NCc2cn3c(C)c(C)sc3n2)n1
InChIInChI=1S/C18H18N6S/c1-11-6-4-5-7-15(11)16-9-20-23-17(22-16)19-8-14-10-24-12(2)13(3)25-18(24)21-14/h4-7,9-10H,8H2,1-3H3,(H,19,22,23)
InChIKeyMCIJHHDKWSRXMK-UHFFFAOYSA-N
XLogP3.79
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine?
The IUPAC name of N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine (CID 25287488) is N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine is Cc1ccccc1-c1cnnc(NCc2cn3c(C)c(C)sc3n2)n1.
What is the InChIKey of N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine?
The InChIKey is MCIJHHDKWSRXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6S/c1-11-6-4-5-7-15(11)16-9-20-23-17(22-16)19-8-14-10-24-12(2)13(3)25-18(24)21-14/h4-7,9-10H,8H2,1-3H3,(H,19,22,23).
What are the key properties of N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine?
N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine has a molecular weight of 350.45 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-5-(2-methylphenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 25287488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).