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

C12H18N4S — CID 79493289

IUPAC2-methyl-N-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cn(C)nc1-c1nccs1
InChIInChI=1S/C12H18N4S/c1-9(2)6-13-7-10-8-16(3)15-11(10)12-14-4-5-17-12/h4-5,8-9,13H,6-7H2,1-3H3
InChIKeyADGJWFJRJNGJQC-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.29
Rot. Bonds5

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

2-methyl-N-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-1-amine (PubChem CID 79493289) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-methyl-N-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-1-amine
PubChem CID79493289
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name2-methyl-N-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cn(C)nc1-c1nccs1
InChIInChI=1S/C12H18N4S/c1-9(2)6-13-7-10-8-16(3)15-11(10)12-14-4-5-17-12/h4-5,8-9,13H,6-7H2,1-3H3
InChIKeyADGJWFJRJNGJQC-UHFFFAOYSA-N
XLogP2.29
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-2-amine
CID 79485381
N-[[3-(4-bromothiophen-2-yl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 107355504
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588641
N-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79492694
N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79492888
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 55139434
N-[[3-(2-chloro-4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79493394
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 102810436
2-N,2-N,4-trimethyl-1-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pentane-1,2-diamine
CID 43771693
N-[[3-(3-bromothiophen-2-yl)-1-methylpyrazol-4-yl]methyl]propan-1-amine
CID 79485373
2-methyl-N-[[3-[1-(1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine
CID 66151221
N-[[1-methyl-3-(3-methylpyrazin-2-yl)pyrazol-4-yl]methyl]ethanamine
CID 114080517

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-1-amine (CID 79493289) is 2-methyl-N-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-1-amine is CC(C)CNCc1cn(C)nc1-c1nccs1.
What is the InChIKey of 2-methyl-N-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-1-amine?
The InChIKey is ADGJWFJRJNGJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-9(2)6-13-7-10-8-16(3)15-11(10)12-14-4-5-17-12/h4-5,8-9,13H,6-7H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-1-amine?
2-methyl-N-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 250.37 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 79493289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).