N-[(1-methylpyrazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine

C11H16N4S — CID 61035312

IUPACN-[(1-methylpyrazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1csc(CCNCc2cnn(C)c2)n1
InChIInChI=1S/C11H16N4S/c1-9-8-16-11(14-9)3-4-12-5-10-6-13-15(2)7-10/h6-8,12H,3-5H2,1-2H3
InChIKeyAGJRTSWGAYHQFK-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.52
Rot. Bonds5

About N-[(1-methylpyrazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine

N-[(1-methylpyrazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 61035312) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID61035312
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1csc(CCNCc2cnn(C)c2)n1
InChIInChI=1S/C11H16N4S/c1-9-8-16-11(14-9)3-4-12-5-10-6-13-15(2)7-10/h6-8,12H,3-5H2,1-2H3
InChIKeyAGJRTSWGAYHQFK-UHFFFAOYSA-N
XLogP1.52
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1-methylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 61035698
2-[4-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 64830983
2-(1-methylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 112730158
N-[(4-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 55027046
N-[(2-methylpyrazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63000780
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 112549267
N-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 60761621
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63238886
N-[(1-methylpyrazol-4-yl)methyl]-2-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115747364
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 115592117
[1-(1-methylpyrazol-4-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 105214243
1-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 61034807

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 61035312) is N-[(1-methylpyrazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is Cc1csc(CCNCc2cnn(C)c2)n1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is AGJRTSWGAYHQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-9-8-16-11(14-9)3-4-12-5-10-6-13-15(2)7-10/h6-8,12H,3-5H2,1-2H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
N-[(1-methylpyrazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 236.34 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 61035312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).