4-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one

C11H16N4OS — CID 114181229

IUPAC4-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCCc1nn(C)cc1CNCc1csc(=O)[nH]1
InChIInChI=1S/C11H16N4OS/c1-3-10-8(6-15(2)14-10)4-12-5-9-7-17-11(16)13-9/h6-7,12H,3-5H2,1-2H3,(H,13,16)
InChIKeyRJWSJBWBYMRJEF-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.02
Rot. Bonds5

About 4-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one

4-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 114181229) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 4-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
PubChem CID114181229
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name4-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
SMILESCCc1nn(C)cc1CNCc1csc(=O)[nH]1
InChIInChI=1S/C11H16N4OS/c1-3-10-8(6-15(2)14-10)4-12-5-9-7-17-11(16)13-9/h6-7,12H,3-5H2,1-2H3,(H,13,16)
InChIKeyRJWSJBWBYMRJEF-UHFFFAOYSA-N
XLogP1.02
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 112549095
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]formamide
CID 112672097
1-(3-ethyl-1-methylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 112549507
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(5-nitrothiophen-3-yl)methanamine
CID 112550122
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 102810436
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(4-iodophenyl)methanamine
CID 112668872
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(3-ethyl-1-methylpyrazol-4-yl)methanamine
CID 112549603
1-(2-ethoxyphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine
CID 115885559
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 112549267
4-amino-1-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyrazole-3-carboxamide
CID 114181186
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylbutan-1-amine
CID 112549127
1-(2,3-dimethylphenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]methanamine
CID 112550132

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one (CID 114181229) is 4-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one is CCc1nn(C)cc1CNCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is RJWSJBWBYMRJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-3-10-8(6-15(2)14-10)4-12-5-9-7-17-11(16)13-9/h6-7,12H,3-5H2,1-2H3,(H,13,16).
What are the key properties of 4-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one?
4-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 252.34 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 114181229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).