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

C10H15N5S — CID 105359581

IUPAC1-[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-yl]ethanamine
SMILESCc1nc(Cn2cnc(C(C)N)n2)sc1C
InChIInChI=1S/C10H15N5S/c1-6(11)10-12-5-15(14-10)4-9-13-7(2)8(3)16-9/h5-6H,4,11H2,1-3H3
InChIKeyJBXGKUGSYRILES-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.42
Rot. Bonds3

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

1-[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-yl]ethanamine (PubChem CID 105359581) has the molecular formula C10H15N5S and a molecular weight of 237.33 g/mol. Its IUPAC name is 1-[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-yl]ethanamine
PubChem CID105359581
Molecular FormulaC10H15N5S
Molecular Weight237.33 g/mol
Exact Mass237.10
IUPAC Name1-[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-yl]ethanamine
SMILESCc1nc(Cn2cnc(C(C)N)n2)sc1C
InChIInChI=1S/C10H15N5S/c1-6(11)10-12-5-15(14-10)4-9-13-7(2)8(3)16-9/h5-6H,4,11H2,1-3H3
InChIKeyJBXGKUGSYRILES-UHFFFAOYSA-N
XLogP1.42
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 1-[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-yl]ethanamine (CID 105359581) is 1-[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 1-[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 1-[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-yl]ethanamine is Cc1nc(Cn2cnc(C(C)N)n2)sc1C.
What is the InChIKey of 1-[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is JBXGKUGSYRILES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S/c1-6(11)10-12-5-15(14-10)4-9-13-7(2)8(3)16-9/h5-6H,4,11H2,1-3H3.
What are the key properties of 1-[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-yl]ethanamine?
1-[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 237.33 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 105359581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).