4-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine

C11H16N4S — CID 82695177

IUPAC4-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCCc1cc(CC)n(Cc2csc(N)n2)n1
InChIInChI=1S/C11H16N4S/c1-3-8-5-10(4-2)15(14-8)6-9-7-16-11(12)13-9/h5,7H,3-4,6H2,1-2H3,(H2,12,13)
InChIKeyCMMNZOAAEXVBLW-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.09
Rot. Bonds4

About 4-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine

4-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 82695177) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 4-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine
PubChem CID82695177
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name4-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCCc1cc(CC)n(Cc2csc(N)n2)n1
InChIInChI=1S/C11H16N4S/c1-3-8-5-10(4-2)15(14-8)6-9-7-16-11(12)13-9/h5,7H,3-4,6H2,1-2H3,(H2,12,13)
InChIKeyCMMNZOAAEXVBLW-UHFFFAOYSA-N
XLogP2.09
TPSA56.73 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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine (CID 82695177) is 4-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine is CCc1cc(CC)n(Cc2csc(N)n2)n1.
What is the InChIKey of 4-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is CMMNZOAAEXVBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-3-8-5-10(4-2)15(14-8)6-9-7-16-11(12)13-9/h5,7H,3-4,6H2,1-2H3,(H2,12,13).
What are the key properties of 4-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine?
4-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 236.34 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 82695177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).