N-[4-[[1-(2-aminoethyl)pyrazol-4-yl]methyl]-6-ethyl-3-methyliminopyrazin-2-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine;ethane

C24H39N9S — CID 143841133

IUPACN-[4-[[1-(2-aminoethyl)pyrazol-4-yl]methyl]-6-ethyl-3-methyliminopyrazin-2-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine;ethane
SMILESCC.CCc1cn(Cc2cnn(CCN)c2)/c(=N\C)c(Nc2cc(CN3CCCCC3)ns2)n1
InChIInChI=1S/C22H33N9S.C2H6/c1-3-18-16-30(13-17-12-25-31(14-17)10-7-23)22(24-2)21(26-18)27-20-11-19(28-32-20)15-29-8-5-4-6-9-29;1-2/h11-12,14,16H,3-10,13,15,23H2,1-2H3,(H,26,27);1-2H3/b24-22-;
InChIKeyFYIBULXSJOICSQ-WKKHQKTCSA-N
MW485.71 g/mol
LogP3.39
Rot. Bonds9

About N-[4-[[1-(2-aminoethyl)pyrazol-4-yl]methyl]-6-ethyl-3-methyliminopyrazin-2-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine;ethane

N-[4-[[1-(2-aminoethyl)pyrazol-4-yl]methyl]-6-ethyl-3-methyliminopyrazin-2-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine;ethane (PubChem CID 143841133) has the molecular formula C24H39N9S and a molecular weight of 485.71 g/mol. Its IUPAC name is N-[4-[[1-(2-aminoethyl)pyrazol-4-yl]methyl]-6-ethyl-3-methyliminopyrazin-2-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine;ethane.

Molecular Properties

Compound NameN-[4-[[1-(2-aminoethyl)pyrazol-4-yl]methyl]-6-ethyl-3-methyliminopyrazin-2-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine;ethane
PubChem CID143841133
Molecular FormulaC24H39N9S
Molecular Weight485.71 g/mol
Exact Mass485.30
IUPAC NameN-[4-[[1-(2-aminoethyl)pyrazol-4-yl]methyl]-6-ethyl-3-methyliminopyrazin-2-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine;ethane
SMILESCC.CCc1cn(Cc2cnn(CCN)c2)/c(=N\C)c(Nc2cc(CN3CCCCC3)ns2)n1
InChIInChI=1S/C22H33N9S.C2H6/c1-3-18-16-30(13-17-12-25-31(14-17)10-7-23)22(24-2)21(26-18)27-20-11-19(28-32-20)15-29-8-5-4-6-9-29;1-2/h11-12,14,16H,3-10,13,15,23H2,1-2H3,(H,26,27);1-2H3/b24-22-;
InChIKeyFYIBULXSJOICSQ-WKKHQKTCSA-N
XLogP3.39
TPSA102.18 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.71
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[4-[[1-(2-aminoethyl)pyrazol-4-yl]methyl]-6-ethyl-3-methyliminopyrazin-2-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine;ethane 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 N-[4-[[1-(2-aminoethyl)pyrazol-4-yl]methyl]-6-ethyl-3-methyliminopyrazin-2-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine;ethane?
The IUPAC name of N-[4-[[1-(2-aminoethyl)pyrazol-4-yl]methyl]-6-ethyl-3-methyliminopyrazin-2-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine;ethane (CID 143841133) is N-[4-[[1-(2-aminoethyl)pyrazol-4-yl]methyl]-6-ethyl-3-methyliminopyrazin-2-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine;ethane.
What is the SMILES notation for N-[4-[[1-(2-aminoethyl)pyrazol-4-yl]methyl]-6-ethyl-3-methyliminopyrazin-2-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine;ethane?
The canonical SMILES for N-[4-[[1-(2-aminoethyl)pyrazol-4-yl]methyl]-6-ethyl-3-methyliminopyrazin-2-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine;ethane is CC.CCc1cn(Cc2cnn(CCN)c2)/c(=N\C)c(Nc2cc(CN3CCCCC3)ns2)n1.
What is the InChIKey of N-[4-[[1-(2-aminoethyl)pyrazol-4-yl]methyl]-6-ethyl-3-methyliminopyrazin-2-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine;ethane?
The InChIKey is FYIBULXSJOICSQ-WKKHQKTCSA-N. The full InChI is InChI=1S/C22H33N9S.C2H6/c1-3-18-16-30(13-17-12-25-31(14-17)10-7-23)22(24-2)21(26-18)27-20-11-19(28-32-20)15-29-8-5-4-6-9-29;1-2/h11-12,14,16H,3-10,13,15,23H2,1-2H3,(H,26,27);1-2H3/b24-22-;.
What are the key properties of N-[4-[[1-(2-aminoethyl)pyrazol-4-yl]methyl]-6-ethyl-3-methyliminopyrazin-2-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine;ethane?
N-[4-[[1-(2-aminoethyl)pyrazol-4-yl]methyl]-6-ethyl-3-methyliminopyrazin-2-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine;ethane has a molecular weight of 485.71 g/mol, XLogP of 3.39, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(2-aminoethyl)pyrazol-4-yl]methyl]-6-ethyl-3-methyliminopyrazin-2-yl]-3-(piperidin-1-ylmethyl)-1,2-thiazol-5-amine;ethane is sourced from PubChem (CID 143841133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).