N-methyl-N-(1H-pyrazol-4-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine

C10H14N4S — CID 100669916

IUPACN-methyl-N-(1H-pyrazol-4-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine
SMILESCN(CCc1nccs1)Cc1cn[nH]c1
InChIInChI=1S/C10H14N4S/c1-14(8-9-6-12-13-7-9)4-2-10-11-3-5-15-10/h3,5-7H,2,4,8H2,1H3,(H,12,13)
InChIKeyMLQWERHTBQENLU-UHFFFAOYSA-N
MW222.32 g/mol
LogP1.54
Rot. Bonds5

About N-methyl-N-(1H-pyrazol-4-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine

N-methyl-N-(1H-pyrazol-4-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 100669916) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is N-methyl-N-(1H-pyrazol-4-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-N-(1H-pyrazol-4-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID100669916
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC NameN-methyl-N-(1H-pyrazol-4-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine
SMILESCN(CCc1nccs1)Cc1cn[nH]c1
InChIInChI=1S/C10H14N4S/c1-14(8-9-6-12-13-7-9)4-2-10-11-3-5-15-10/h3,5-7H,2,4,8H2,1H3,(H,12,13)
InChIKeyMLQWERHTBQENLU-UHFFFAOYSA-N
XLogP1.54
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1H-pyrazol-4-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-methyl-N-(1H-pyrazol-4-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine (CID 100669916) is N-methyl-N-(1H-pyrazol-4-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-methyl-N-(1H-pyrazol-4-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-methyl-N-(1H-pyrazol-4-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine is CN(CCc1nccs1)Cc1cn[nH]c1.
What is the InChIKey of N-methyl-N-(1H-pyrazol-4-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is MLQWERHTBQENLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-14(8-9-6-12-13-7-9)4-2-10-11-3-5-15-10/h3,5-7H,2,4,8H2,1H3,(H,12,13).
What are the key properties of N-methyl-N-(1H-pyrazol-4-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine?
N-methyl-N-(1H-pyrazol-4-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 222.32 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1H-pyrazol-4-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 100669916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).