4-methyl-5-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine

C11H17N5S — CID 55116338

IUPAC4-methyl-5-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1nc(CC(C)C)nn1C
InChIInChI=1S/C11H17N5S/c1-6(2)5-8-14-10(16(4)15-8)9-7(3)13-11(12)17-9/h6H,5H2,1-4H3,(H2,12,13)
InChIKeyJPBIYXGBSBNBBK-UHFFFAOYSA-N
MW251.36 g/mol
LogP2.03
Rot. Bonds3

About 4-methyl-5-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine

4-methyl-5-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine (PubChem CID 55116338) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is 4-methyl-5-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine
PubChem CID55116338
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC Name4-methyl-5-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1nc(CC(C)C)nn1C
InChIInChI=1S/C11H17N5S/c1-6(2)5-8-14-10(16(4)15-8)9-7(3)13-11(12)17-9/h6H,5H2,1-4H3,(H2,12,13)
InChIKeyJPBIYXGBSBNBBK-UHFFFAOYSA-N
XLogP2.03
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine (CID 55116338) is 4-methyl-5-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine is Cc1nc(N)sc1-c1nc(CC(C)C)nn1C.
What is the InChIKey of 4-methyl-5-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine?
The InChIKey is JPBIYXGBSBNBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-6(2)5-8-14-10(16(4)15-8)9-7(3)13-11(12)17-9/h6H,5H2,1-4H3,(H2,12,13).
What are the key properties of 4-methyl-5-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine?
4-methyl-5-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine has a molecular weight of 251.36 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 55116338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).