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

C13H18N4S — CID 43435423

IUPAC1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCc1nc(CNC2CCCc3c2cnn3C)cs1
InChIInChI=1S/C13H18N4S/c1-9-16-10(8-18-9)6-14-12-4-3-5-13-11(12)7-15-17(13)2/h7-8,12,14H,3-6H2,1-2H3
InChIKeyNYACEHFZOVSVRU-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.35
Rot. Bonds3

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

1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 43435423) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID43435423
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCc1nc(CNC2CCCc3c2cnn3C)cs1
InChIInChI=1S/C13H18N4S/c1-9-16-10(8-18-9)6-14-12-4-3-5-13-11(12)7-15-17(13)2/h7-8,12,14H,3-6H2,1-2H3
InChIKeyNYACEHFZOVSVRU-UHFFFAOYSA-N
XLogP2.35
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.35
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-methyl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine (CID 43435423) is 1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine is Cc1nc(CNC2CCCc3c2cnn3C)cs1.
What is the InChIKey of 1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is NYACEHFZOVSVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-9-16-10(8-18-9)6-14-12-4-3-5-13-11(12)7-15-17(13)2/h7-8,12,14H,3-6H2,1-2H3.
What are the key properties of 1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 262.38 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 43435423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).