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

C13H20N4S — CID 112549267

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCCc1nn(C)cc1CNCCc1nc(C)cs1
InChIInChI=1S/C13H20N4S/c1-4-12-11(8-17(3)16-12)7-14-6-5-13-15-10(2)9-18-13/h8-9,14H,4-7H2,1-3H3
InChIKeyPITSYEVSGNSUGL-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.08
Rot. Bonds6

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

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 112549267) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID112549267
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCCc1nn(C)cc1CNCCc1nc(C)cs1
InChIInChI=1S/C13H20N4S/c1-4-12-11(8-17(3)16-12)7-14-6-5-13-15-10(2)9-18-13/h8-9,14H,4-7H2,1-3H3
InChIKeyPITSYEVSGNSUGL-UHFFFAOYSA-N
XLogP2.08
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.08
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

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine
CID 112549165
N-[(1-methylpyrazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 61035312
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 102810436
2-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 62735021
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine
CID 112549603
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(3-methylphenyl)ethanamine
CID 112549443
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylbutan-1-amine
CID 112549127
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 112549489
2-(4-methyl-1,3-thiazol-2-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 66131187
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 102810418
N-[2-(3-ethyl-1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 112671374
1-(3-ethyl-1-methylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 112549507

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 112549267) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is CCc1nn(C)cc1CNCCc1nc(C)cs1.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is PITSYEVSGNSUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-4-12-11(8-17(3)16-12)7-14-6-5-13-15-10(2)9-18-13/h8-9,14H,4-7H2,1-3H3.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 264.40 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 112549267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).