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

C12H18N4S — CID 54956316

IUPAC[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
SMILESCCc1nc(Cn2nc(C)c(CN)c2C)cs1
InChIInChI=1S/C12H18N4S/c1-4-12-14-10(7-17-12)6-16-9(3)11(5-13)8(2)15-16/h7H,4-6,13H2,1-3H3
InChIKeyLEYJSFCYHGSPEL-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.03
Rot. Bonds4

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

[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine (PubChem CID 54956316) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is [1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
PubChem CID54956316
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
SMILESCCc1nc(Cn2nc(C)c(CN)c2C)cs1
InChIInChI=1S/C12H18N4S/c1-4-12-14-10(7-17-12)6-16-9(3)11(5-13)8(2)15-16/h7H,4-6,13H2,1-3H3
InChIKeyLEYJSFCYHGSPEL-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 [1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine?
The IUPAC name of [1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine (CID 54956316) is [1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine.
What is the SMILES notation for [1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine?
The canonical SMILES for [1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine is CCc1nc(Cn2nc(C)c(CN)c2C)cs1.
What is the InChIKey of [1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine?
The InChIKey is LEYJSFCYHGSPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-4-12-14-10(7-17-12)6-16-9(3)11(5-13)8(2)15-16/h7H,4-6,13H2,1-3H3.
What are the key properties of [1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine?
[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,5-dimethylpyrazol-4-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 [1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine is sourced from PubChem (CID 54956316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).