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

C10H15N5S — CID 82220922

IUPAC[5-(2-methylpropyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine
SMILESCC(C)Cc1c(CN)nnn1-c1nccs1
InChIInChI=1S/C10H15N5S/c1-7(2)5-9-8(6-11)13-14-15(9)10-12-3-4-16-10/h3-4,7H,5-6,11H2,1-2H3
InChIKeyXQALAJTXORBJGJ-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.38
Rot. Bonds4

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

[5-(2-methylpropyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine (PubChem CID 82220922) has the molecular formula C10H15N5S and a molecular weight of 237.33 g/mol. Its IUPAC name is [5-(2-methylpropyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2-methylpropyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine
PubChem CID82220922
Molecular FormulaC10H15N5S
Molecular Weight237.33 g/mol
Exact Mass237.10
IUPAC Name[5-(2-methylpropyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine
SMILESCC(C)Cc1c(CN)nnn1-c1nccs1
InChIInChI=1S/C10H15N5S/c1-7(2)5-9-8(6-11)13-14-15(9)10-12-3-4-16-10/h3-4,7H,5-6,11H2,1-2H3
InChIKeyXQALAJTXORBJGJ-UHFFFAOYSA-N
XLogP1.38
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(2-methylpropyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine?
The IUPAC name of [5-(2-methylpropyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine (CID 82220922) is [5-(2-methylpropyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine.
What is the SMILES notation for [5-(2-methylpropyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine?
The canonical SMILES for [5-(2-methylpropyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine is CC(C)Cc1c(CN)nnn1-c1nccs1.
What is the InChIKey of [5-(2-methylpropyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine?
The InChIKey is XQALAJTXORBJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S/c1-7(2)5-9-8(6-11)13-14-15(9)10-12-3-4-16-10/h3-4,7H,5-6,11H2,1-2H3.
What are the key properties of [5-(2-methylpropyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine?
[5-(2-methylpropyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine has a molecular weight of 237.33 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylpropyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine is sourced from PubChem (CID 82220922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).