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

C14H20N4S — CID 43787461

IUPAC1-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCc1ncsc1C(C)NC1CCCc2c1cnn2C
InChIInChI=1S/C14H20N4S/c1-9-14(19-8-15-9)10(2)17-12-5-4-6-13-11(12)7-16-18(13)3/h7-8,10,12,17H,4-6H2,1-3H3
InChIKeyPWBJAAPTMVSRFS-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.91
Rot. Bonds3

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

1-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 43787461) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 1-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name1-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID43787461
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name1-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCc1ncsc1C(C)NC1CCCc2c1cnn2C
InChIInChI=1S/C14H20N4S/c1-9-14(19-8-15-9)10(2)17-12-5-4-6-13-11(12)7-16-18(13)3/h7-8,10,12,17H,4-6H2,1-3H3
InChIKeyPWBJAAPTMVSRFS-UHFFFAOYSA-N
XLogP2.91
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 1-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine (CID 43787461) is 1-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 1-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 1-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine is Cc1ncsc1C(C)NC1CCCc2c1cnn2C.
What is the InChIKey of 1-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is PWBJAAPTMVSRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-9-14(19-8-15-9)10(2)17-12-5-4-6-13-11(12)7-16-18(13)3/h7-8,10,12,17H,4-6H2,1-3H3.
What are the key properties of 1-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine?
1-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 276.41 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 43787461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).