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

C8H11N5S — CID 61320183

IUPAC4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1nc(C)n(Cc2csc(N)n2)n1
InChIInChI=1S/C8H11N5S/c1-5-10-6(2)13(12-5)3-7-4-14-8(9)11-7/h4H,3H2,1-2H3,(H2,9,11)
InChIKeyXMNMSLIEFOKRNM-UHFFFAOYSA-N
MW209.28 g/mol
LogP0.98
Rot. Bonds2

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

4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 61320183) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1,3-thiazol-2-amine
PubChem CID61320183
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC Name4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1nc(C)n(Cc2csc(N)n2)n1
InChIInChI=1S/C8H11N5S/c1-5-10-6(2)13(12-5)3-7-4-14-8(9)11-7/h4H,3H2,1-2H3,(H2,9,11)
InChIKeyXMNMSLIEFOKRNM-UHFFFAOYSA-N
XLogP0.98
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1,3-thiazol-2-amine (CID 61320183) is 4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1,3-thiazol-2-amine is Cc1nc(C)n(Cc2csc(N)n2)n1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is XMNMSLIEFOKRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1-5-10-6(2)13(12-5)3-7-4-14-8(9)11-7/h4H,3H2,1-2H3,(H2,9,11).
What are the key properties of 4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1,3-thiazol-2-amine?
4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 209.28 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 61320183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).