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

C12H18N4S — CID 114555787

IUPACN-[(2-propylpyrazol-3-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
SMILESCCCn1nccc1CNCCc1cscn1
InChIInChI=1S/C12H18N4S/c1-2-7-16-12(4-6-15-16)8-13-5-3-11-9-17-10-14-11/h4,6,9-10,13H,2-3,5,7-8H2,1H3
InChIKeyXTEUYSHFFNCWOX-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.08
Rot. Bonds7

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

N-[(2-propylpyrazol-3-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine (PubChem CID 114555787) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is N-[(2-propylpyrazol-3-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-propylpyrazol-3-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
PubChem CID114555787
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC NameN-[(2-propylpyrazol-3-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
SMILESCCCn1nccc1CNCCc1cscn1
InChIInChI=1S/C12H18N4S/c1-2-7-16-12(4-6-15-16)8-13-5-3-11-9-17-10-14-11/h4,6,9-10,13H,2-3,5,7-8H2,1H3
InChIKeyXTEUYSHFFNCWOX-UHFFFAOYSA-N
XLogP2.08
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-propyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-3-amine
CID 115606212
1-(2-ethylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625523
3-[(2-propylpyrazol-3-yl)methylamino]propan-1-ol
CID 114554889
5-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
CID 107316767
4-methylsulfanyl-N-[(2-propylpyrazol-3-yl)methyl]butan-1-amine
CID 114556165
N-[[2-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine
CID 122166952
4,4,4-trifluoro-N-[(2-propylpyrazol-3-yl)methyl]butan-1-amine
CID 114555990
N-[(1-ethylimidazol-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 63830781
N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 104626945
5-methoxy-N-[(2-propylpyrazol-3-yl)methyl]pentan-1-amine
CID 114130077
N-(pyridin-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 63829197
N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine
CID 114556004

Frequently Asked Questions

What is the IUPAC name of N-[(2-propylpyrazol-3-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-[(2-propylpyrazol-3-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine (CID 114555787) is N-[(2-propylpyrazol-3-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-[(2-propylpyrazol-3-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-[(2-propylpyrazol-3-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine is CCCn1nccc1CNCCc1cscn1.
What is the InChIKey of N-[(2-propylpyrazol-3-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine?
The InChIKey is XTEUYSHFFNCWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-2-7-16-12(4-6-15-16)8-13-5-3-11-9-17-10-14-11/h4,6,9-10,13H,2-3,5,7-8H2,1H3.
What are the key properties of N-[(2-propylpyrazol-3-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine?
N-[(2-propylpyrazol-3-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine has a molecular weight of 250.37 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propylpyrazol-3-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 114555787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).