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

C14H22N4S — CID 115592018

IUPACN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
SMILESCC(C)(C)c1nc(CNCCCn2cccn2)cs1
InChIInChI=1S/C14H22N4S/c1-14(2,3)13-17-12(11-19-13)10-15-6-4-8-18-9-5-7-16-18/h5,7,9,11,15H,4,6,8,10H2,1-3H3
InChIKeyGEGILWXWVGQLOJ-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.82
Rot. Bonds6

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

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine (PubChem CID 115592018) has the molecular formula C14H22N4S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
PubChem CID115592018
Molecular FormulaC14H22N4S
Molecular Weight278.42 g/mol
Exact Mass278.16
IUPAC NameN-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
SMILESCC(C)(C)c1nc(CNCCCn2cccn2)cs1
InChIInChI=1S/C14H22N4S/c1-14(2,3)13-17-12(11-19-13)10-15-6-4-8-18-9-5-7-16-18/h5,7,9,11,15H,4,6,8,10H2,1-3H3
InChIKeyGEGILWXWVGQLOJ-UHFFFAOYSA-N
XLogP2.82
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine?
The IUPAC name of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine (CID 115592018) is N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine.
What is the SMILES notation for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine?
The canonical SMILES for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine is CC(C)(C)c1nc(CNCCCn2cccn2)cs1.
What is the InChIKey of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine?
The InChIKey is GEGILWXWVGQLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-14(2,3)13-17-12(11-19-13)10-15-6-4-8-18-9-5-7-16-18/h5,7,9,11,15H,4,6,8,10H2,1-3H3.
What are the key properties of N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine?
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine has a molecular weight of 278.42 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine is sourced from PubChem (CID 115592018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).