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

C12H18N4S — CID 55072800

IUPAC[4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
SMILESCCc1c(C)nn(Cc2csc(CN)n2)c1C
InChIInChI=1S/C12H18N4S/c1-4-11-8(2)15-16(9(11)3)6-10-7-17-12(5-13)14-10/h7H,4-6,13H2,1-3H3
InChIKeyYHQZNQYLIGKOCV-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.03
Rot. Bonds4

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

[4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine (PubChem CID 55072800) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is [4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
PubChem CID55072800
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name[4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
SMILESCCc1c(C)nn(Cc2csc(CN)n2)c1C
InChIInChI=1S/C12H18N4S/c1-4-11-8(2)15-16(9(11)3)6-10-7-17-12(5-13)14-10/h7H,4-6,13H2,1-3H3
InChIKeyYHQZNQYLIGKOCV-UHFFFAOYSA-N
XLogP2.03
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine (CID 55072800) is [4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine is CCc1c(C)nn(Cc2csc(CN)n2)c1C.
What is the InChIKey of [4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine?
The InChIKey is YHQZNQYLIGKOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-4-11-8(2)15-16(9(11)3)6-10-7-17-12(5-13)14-10/h7H,4-6,13H2,1-3H3.
What are the key properties of [4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine?
[4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine has a molecular weight of 250.37 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 55072800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).