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

C15H22N4S — CID 43727321

IUPACN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCc1nc(C(C)NC2CCCc3c2cnn3C)c(C)s1
InChIInChI=1S/C15H22N4S/c1-9(15-10(2)20-11(3)18-15)17-13-6-5-7-14-12(13)8-16-19(14)4/h8-9,13,17H,5-7H2,1-4H3
InChIKeyGKOIICMOSWTQBS-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.22
Rot. Bonds3

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

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 43727321) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID43727321
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCc1nc(C(C)NC2CCCc3c2cnn3C)c(C)s1
InChIInChI=1S/C15H22N4S/c1-9(15-10(2)20-11(3)18-15)17-13-6-5-7-14-12(13)8-16-19(14)4/h8-9,13,17H,5-7H2,1-4H3
InChIKeyGKOIICMOSWTQBS-UHFFFAOYSA-N
XLogP3.22
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (CID 43727321) is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is Cc1nc(C(C)NC2CCCc3c2cnn3C)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is GKOIICMOSWTQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-9(15-10(2)20-11(3)18-15)17-13-6-5-7-14-12(13)8-16-19(14)4/h8-9,13,17H,5-7H2,1-4H3.
What are the key properties of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 290.44 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 43727321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).