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

C13H20N4S — CID 112700537

IUPAC1-(1,3-dimethylpyrazol-4-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
SMILESCc1cnc(C(C)NC(C)c2cn(C)nc2C)s1
InChIInChI=1S/C13H20N4S/c1-8-6-14-13(18-8)11(4)15-9(2)12-7-17(5)16-10(12)3/h6-7,9,11,15H,1-5H3
InChIKeyDRHYLZNCNLAWEI-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.91
Rot. Bonds4

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

1-(1,3-dimethylpyrazol-4-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine (PubChem CID 112700537) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
PubChem CID112700537
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
SMILESCc1cnc(C(C)NC(C)c2cn(C)nc2C)s1
InChIInChI=1S/C13H20N4S/c1-8-6-14-13(18-8)11(4)15-9(2)12-7-17(5)16-10(12)3/h6-7,9,11,15H,1-5H3
InChIKeyDRHYLZNCNLAWEI-UHFFFAOYSA-N
XLogP2.91
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine (CID 112700537) is 1-(1,3-dimethylpyrazol-4-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine is Cc1cnc(C(C)NC(C)c2cn(C)nc2C)s1.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine?
The InChIKey is DRHYLZNCNLAWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-8-6-14-13(18-8)11(4)15-9(2)12-7-17(5)16-10(12)3/h6-7,9,11,15H,1-5H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine?
1-(1,3-dimethylpyrazol-4-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine has a molecular weight of 264.40 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanamine is sourced from PubChem (CID 112700537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).