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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Related Compounds

2-(1-Methylpyrazol-4-yl)-4-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 53519364
2-Pyrimidin-2-yl-4-[[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 53566154
4-[(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 53567549
4-[(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 53570292
N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 53571550
2-(1-Methylpyrazol-4-yl)-4-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 53571984
4-[(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 53574084
4-[(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 53582443
2-(1-methylpyrazol-4-yl)-4-[(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole
CID 53618747
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-ethyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 56908597
1-(4-methylpyrazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 71932887
2-pyrazol-1-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 72153025

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).