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

C9H12N4S — CID 43137963

IUPAC4-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1cc(C)n(Cc2csc(N)n2)n1
InChIInChI=1S/C9H12N4S/c1-6-3-7(2)13(12-6)4-8-5-14-9(10)11-8/h3,5H,4H2,1-2H3,(H2,10,11)
InChIKeyYLBXGZCDXCSELI-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.59
Rot. Bonds2

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

4-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 43137963) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine
PubChem CID43137963
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCc1cc(C)n(Cc2csc(N)n2)n1
InChIInChI=1S/C9H12N4S/c1-6-3-7(2)13(12-6)4-8-5-14-9(10)11-8/h3,5H,4H2,1-2H3,(H2,10,11)
InChIKeyYLBXGZCDXCSELI-UHFFFAOYSA-N
XLogP1.59
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine (CID 43137963) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine is Cc1cc(C)n(Cc2csc(N)n2)n1.
What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is YLBXGZCDXCSELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-6-3-7(2)13(12-6)4-8-5-14-9(10)11-8/h3,5H,4H2,1-2H3,(H2,10,11).
What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine?
4-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 208.29 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 43137963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).