2-(4-methylpyrazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine

C14H16N6S — CID 56780239

IUPAC2-(4-methylpyrazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCc1cnn(CCNCc2csc(-c3ncccn3)n2)c1
InChIInChI=1S/C14H16N6S/c1-11-7-18-20(9-11)6-5-15-8-12-10-21-14(19-12)13-16-3-2-4-17-13/h2-4,7,9-10,15H,5-6,8H2,1H3
InChIKeyHIVWTTVCUBCXCL-UHFFFAOYSA-N
MW300.39 g/mol
LogP1.89
Rot. Bonds6

About 2-(4-methylpyrazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine

2-(4-methylpyrazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine (PubChem CID 56780239) has the molecular formula C14H16N6S and a molecular weight of 300.39 g/mol. Its IUPAC name is 2-(4-methylpyrazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-methylpyrazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
PubChem CID56780239
Molecular FormulaC14H16N6S
Molecular Weight300.39 g/mol
Exact Mass300.12
IUPAC Name2-(4-methylpyrazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCc1cnn(CCNCc2csc(-c3ncccn3)n2)c1
InChIInChI=1S/C14H16N6S/c1-11-7-18-20(9-11)6-5-15-8-12-10-21-14(19-12)13-16-3-2-4-17-13/h2-4,7,9-10,15H,5-6,8H2,1H3
InChIKeyHIVWTTVCUBCXCL-UHFFFAOYSA-N
XLogP1.89
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-(4-methylpyrazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine (CID 56780239) is 2-(4-methylpyrazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-(4-methylpyrazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-(4-methylpyrazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine is Cc1cnn(CCNCc2csc(-c3ncccn3)n2)c1.
What is the InChIKey of 2-(4-methylpyrazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine?
The InChIKey is HIVWTTVCUBCXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6S/c1-11-7-18-20(9-11)6-5-15-8-12-10-21-14(19-12)13-16-3-2-4-17-13/h2-4,7,9-10,15H,5-6,8H2,1H3.
What are the key properties of 2-(4-methylpyrazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine?
2-(4-methylpyrazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine has a molecular weight of 300.39 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyrazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 56780239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).