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

C12H18N4S — CID 113348148

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
SMILESCCc1nn(C)cc1CNC(C)c1cscn1
InChIInChI=1S/C12H18N4S/c1-4-11-10(6-16(3)15-11)5-13-9(2)12-7-17-8-14-12/h6-9,13H,4-5H2,1-3H3
InChIKeyKTPRZMBGKNDTTN-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.29
Rot. Bonds5

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

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(1,3-thiazol-4-yl)ethanamine (PubChem CID 113348148) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
PubChem CID113348148
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
SMILESCCc1nn(C)cc1CNC(C)c1cscn1
InChIInChI=1S/C12H18N4S/c1-4-11-10(6-16(3)15-11)5-13-9(2)12-7-17-8-14-12/h6-9,13H,4-5H2,1-3H3
InChIKeyKTPRZMBGKNDTTN-UHFFFAOYSA-N
XLogP2.29
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 112549296
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pent-4-yn-2-amine
CID 115885755
1-(2-ethoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
CID 115885602
(2S)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-3-methylbutan-1-ol
CID 114987173
1-(1,5-dimethylpyrazol-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
CID 112549272
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 103894057
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-ethylsulfonylpropan-2-amine
CID 115885692
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(2,3,4-trichlorophenyl)ethanamine
CID 115888663
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
CID 112549544
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 102810436
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanamide
CID 112549216
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,4,4-trifluorobutan-2-amine
CID 103898846

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(1,3-thiazol-4-yl)ethanamine (CID 113348148) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(1,3-thiazol-4-yl)ethanamine is CCc1nn(C)cc1CNC(C)c1cscn1.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(1,3-thiazol-4-yl)ethanamine?
The InChIKey is KTPRZMBGKNDTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-4-11-10(6-16(3)15-11)5-13-9(2)12-7-17-8-14-12/h6-9,13H,4-5H2,1-3H3.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(1,3-thiazol-4-yl)ethanamine?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(1,3-thiazol-4-yl)ethanamine has a molecular weight of 250.37 g/mol, XLogP of 2.29, 5 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]-1-(1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 113348148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).