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

C11H16N4S — CID 63000780

IUPACN-[(2-methylpyrazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1csc(CCNCc2ccnn2C)n1
InChIInChI=1S/C11H16N4S/c1-9-8-16-11(14-9)4-5-12-7-10-3-6-13-15(10)2/h3,6,8,12H,4-5,7H2,1-2H3
InChIKeyRUUNOVVGQHNBTI-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.52
Rot. Bonds5

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

N-[(2-methylpyrazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 63000780) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID63000780
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1csc(CCNCc2ccnn2C)n1
InChIInChI=1S/C11H16N4S/c1-9-8-16-11(14-9)4-5-12-7-10-3-6-13-15(10)2/h3,6,8,12H,4-5,7H2,1-2H3
InChIKeyRUUNOVVGQHNBTI-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

2-(2-methylpyrazol-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 104694332
N-[(1-methylpyrazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 61035312
2-(4-methyl-1,3-thiazol-2-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 66131187
2-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 62735021
N-[(4-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 60761621
2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrazole-3-carboxamide
CID 110467157
N-[(5-methyl-2-pyridinyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 80708302
2-(2-methylpyrazol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine
CID 103001687
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 66139811
N-[(6-bromo-2-pyridinyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 112582356
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 112549267
4-bromo-2-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 113229731

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 63000780) is N-[(2-methylpyrazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is Cc1csc(CCNCc2ccnn2C)n1.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is RUUNOVVGQHNBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-9-8-16-11(14-9)4-5-12-7-10-3-6-13-15(10)2/h3,6,8,12H,4-5,7H2,1-2H3.
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
N-[(2-methylpyrazol-3-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-[(2-methylpyrazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 63000780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).