1-[2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine

C11H16N4S — CID 112670757

IUPAC1-[2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCc1nn(C)cc1-c1ncc(CNC)s1
InChIInChI=1S/C11H16N4S/c1-4-10-9(7-15(3)14-10)11-13-6-8(16-11)5-12-2/h6-7,12H,4-5H2,1-3H3
InChIKeyYSLHXKAWPZFRIB-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.83
Rot. Bonds4

About 1-[2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine

1-[2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 112670757) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-[2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID112670757
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name1-[2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCc1nn(C)cc1-c1ncc(CNC)s1
InChIInChI=1S/C11H16N4S/c1-4-10-9(7-15(3)14-10)11-13-6-8(16-11)5-12-2/h6-7,12H,4-5H2,1-3H3
InChIKeyYSLHXKAWPZFRIB-UHFFFAOYSA-N
XLogP1.83
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(3-ethyl-1-methylpyrazol-4-yl)furan-2-yl]-N-methylmethanamine
CID 106888835
1-[2-(5-ethylthiophen-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62318685
1-[4-(3-ethyl-1-methylpyrazol-4-yl)-3-methylphenyl]-N-methylmethanamine
CID 66479456
2-(3-ethyl-1-methylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 112670116
1-[2-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorophenyl]-N-methylmethanamine
CID 114060527
3-(3-ethyl-1-methylpyrazol-4-yl)-N-methylpyrazin-2-amine
CID 112671713
N-[[5-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 102811471
N-[[5-(3-ethyl-1-methylpyrazol-4-yl)thiophen-2-yl]methyl]cyclopropanamine
CID 107464336
1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114895190
2-[5-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine
CID 102811468
3-ethyl-1-methyl-4-(4-methylphenyl)pyrazole
CID 70791517
N-methyl-1-(2-propyl-1,3-thiazol-5-yl)methanamine
CID 61281146

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine (CID 112670757) is 1-[2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine is CCc1nn(C)cc1-c1ncc(CNC)s1.
What is the InChIKey of 1-[2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is YSLHXKAWPZFRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-4-10-9(7-15(3)14-10)11-13-6-8(16-11)5-12-2/h6-7,12H,4-5H2,1-3H3.
What are the key properties of 1-[2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 236.34 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 112670757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).