1-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine

C13H18N4S — CID 55260462

IUPAC1-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCCC2NCCc1cscn1
InChIInChI=1S/C13H18N4S/c1-17-13-4-2-3-12(11(13)7-16-17)14-6-5-10-8-18-9-15-10/h7-9,12,14H,2-6H2,1H3
InChIKeyDCPDSDDHVIJFOA-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.09
Rot. Bonds4

About 1-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine

1-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 55260462) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name1-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID55260462
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name1-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCCC2NCCc1cscn1
InChIInChI=1S/C13H18N4S/c1-17-13-4-2-3-12(11(13)7-16-17)14-6-5-10-8-18-9-15-10/h7-9,12,14H,2-6H2,1H3
InChIKeyDCPDSDDHVIJFOA-UHFFFAOYSA-N
XLogP2.09
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 1-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine (CID 55260462) is 1-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 1-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 1-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine is Cn1ncc2c1CCCC2NCCc1cscn1.
What is the InChIKey of 1-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is DCPDSDDHVIJFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-17-13-4-2-3-12(11(13)7-16-17)14-6-5-10-8-18-9-15-10/h7-9,12,14H,2-6H2,1H3.
What are the key properties of 1-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine?
1-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 262.38 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 55260462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).