3-(5-methyl-1H-pyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine

C11H16N4S — CID 61222625

IUPAC3-(5-methyl-1H-pyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
SMILESCc1[nH]ncc1CCCNCc1cscn1
InChIInChI=1S/C11H16N4S/c1-9-10(5-14-15-9)3-2-4-12-6-11-7-16-8-13-11/h5,7-8,12H,2-4,6H2,1H3,(H,14,15)
InChIKeyXIOSAPOZDIJZFX-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.90
Rot. Bonds6

About 3-(5-methyl-1H-pyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine

3-(5-methyl-1H-pyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine (PubChem CID 61222625) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 3-(5-methyl-1H-pyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(5-methyl-1H-pyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
PubChem CID61222625
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name3-(5-methyl-1H-pyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
SMILESCc1[nH]ncc1CCCNCc1cscn1
InChIInChI=1S/C11H16N4S/c1-9-10(5-14-15-9)3-2-4-12-6-11-7-16-8-13-11/h5,7-8,12H,2-4,6H2,1H3,(H,14,15)
InChIKeyXIOSAPOZDIJZFX-UHFFFAOYSA-N
XLogP1.90
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 3-(5-methyl-1H-pyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
The IUPAC name of 3-(5-methyl-1H-pyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine (CID 61222625) is 3-(5-methyl-1H-pyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(5-methyl-1H-pyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(5-methyl-1H-pyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine is Cc1[nH]ncc1CCCNCc1cscn1.
What is the InChIKey of 3-(5-methyl-1H-pyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
The InChIKey is XIOSAPOZDIJZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-9-10(5-14-15-9)3-2-4-12-6-11-7-16-8-13-11/h5,7-8,12H,2-4,6H2,1H3,(H,14,15).
What are the key properties of 3-(5-methyl-1H-pyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine?
3-(5-methyl-1H-pyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine has a molecular weight of 236.34 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1H-pyrazol-4-yl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 61222625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).