1-(2-methoxyethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine

C11H16N4OS — CID 71971698

IUPAC1-(2-methoxyethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine
SMILESCOCCn1ccc(NCc2scnc2C)n1
InChIInChI=1S/C11H16N4OS/c1-9-10(17-8-13-9)7-12-11-3-4-15(14-11)5-6-16-2/h3-4,8H,5-7H2,1-2H3,(H,12,14)
InChIKeyQJDFKWWSJGDMDU-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.91
Rot. Bonds6

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

1-(2-methoxyethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine (PubChem CID 71971698) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine
PubChem CID71971698
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name1-(2-methoxyethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine
SMILESCOCCn1ccc(NCc2scnc2C)n1
InChIInChI=1S/C11H16N4OS/c1-9-10(17-8-13-9)7-12-11-3-4-15(14-11)5-6-16-2/h3-4,8H,5-7H2,1-2H3,(H,12,14)
InChIKeyQJDFKWWSJGDMDU-UHFFFAOYSA-N
XLogP1.91
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine?
The IUPAC name of 1-(2-methoxyethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine (CID 71971698) is 1-(2-methoxyethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 1-(2-methoxyethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine is COCCn1ccc(NCc2scnc2C)n1.
What is the InChIKey of 1-(2-methoxyethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine?
The InChIKey is QJDFKWWSJGDMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-9-10(17-8-13-9)7-12-11-3-4-15(14-11)5-6-16-2/h3-4,8H,5-7H2,1-2H3,(H,12,14).
What are the key properties of 1-(2-methoxyethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine?
1-(2-methoxyethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine has a molecular weight of 252.34 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 71971698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).