1-(1-methyltriazol-4-yl)-2-(1,3-thiazol-5-yl)ethanamine

C8H11N5S — CID 130521644

IUPAC1-(1-methyltriazol-4-yl)-2-(1,3-thiazol-5-yl)ethanamine
SMILESCn1cc(C(N)Cc2cncs2)nn1
InChIInChI=1S/C8H11N5S/c1-13-4-8(11-12-13)7(9)2-6-3-10-5-14-6/h3-5,7H,2,9H2,1H3
InChIKeyPVORGJWQEWBCCX-UHFFFAOYSA-N
MW209.28 g/mol
LogP0.51
Rot. Bonds3

About 1-(1-methyltriazol-4-yl)-2-(1,3-thiazol-5-yl)ethanamine

1-(1-methyltriazol-4-yl)-2-(1,3-thiazol-5-yl)ethanamine (PubChem CID 130521644) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is 1-(1-methyltriazol-4-yl)-2-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(1-methyltriazol-4-yl)-2-(1,3-thiazol-5-yl)ethanamine
PubChem CID130521644
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC Name1-(1-methyltriazol-4-yl)-2-(1,3-thiazol-5-yl)ethanamine
SMILESCn1cc(C(N)Cc2cncs2)nn1
InChIInChI=1S/C8H11N5S/c1-13-4-8(11-12-13)7(9)2-6-3-10-5-14-6/h3-5,7H,2,9H2,1H3
InChIKeyPVORGJWQEWBCCX-UHFFFAOYSA-N
XLogP0.51
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyltriazol-4-yl)-2-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 1-(1-methyltriazol-4-yl)-2-(1,3-thiazol-5-yl)ethanamine (CID 130521644) is 1-(1-methyltriazol-4-yl)-2-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 1-(1-methyltriazol-4-yl)-2-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 1-(1-methyltriazol-4-yl)-2-(1,3-thiazol-5-yl)ethanamine is Cn1cc(C(N)Cc2cncs2)nn1.
What is the InChIKey of 1-(1-methyltriazol-4-yl)-2-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is PVORGJWQEWBCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1-13-4-8(11-12-13)7(9)2-6-3-10-5-14-6/h3-5,7H,2,9H2,1H3.
What are the key properties of 1-(1-methyltriazol-4-yl)-2-(1,3-thiazol-5-yl)ethanamine?
1-(1-methyltriazol-4-yl)-2-(1,3-thiazol-5-yl)ethanamine has a molecular weight of 209.28 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyltriazol-4-yl)-2-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 130521644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).