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

C15H24N4S — CID 83090252

IUPACN-[[2-(3-tert-butyl-1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1csc(-c2cn(C)nc2C(C)(C)C)n1
InChIInChI=1S/C15H24N4S/c1-6-7-16-8-11-10-20-14(17-11)12-9-19(5)18-13(12)15(2,3)4/h9-10,16H,6-8H2,1-5H3
InChIKeyHDXROQWKXDVTLT-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.34
Rot. Bonds5

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

N-[[2-(3-tert-butyl-1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine (PubChem CID 83090252) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is N-[[2-(3-tert-butyl-1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-tert-butyl-1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine
PubChem CID83090252
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC NameN-[[2-(3-tert-butyl-1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1csc(-c2cn(C)nc2C(C)(C)C)n1
InChIInChI=1S/C15H24N4S/c1-6-7-16-8-11-10-20-14(17-11)12-9-19(5)18-13(12)15(2,3)4/h9-10,16H,6-8H2,1-5H3
InChIKeyHDXROQWKXDVTLT-UHFFFAOYSA-N
XLogP3.34
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.34
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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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-tert-butyl-1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(3-tert-butyl-1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine (CID 83090252) is N-[[2-(3-tert-butyl-1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3-tert-butyl-1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(3-tert-butyl-1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine is CCCNCc1csc(-c2cn(C)nc2C(C)(C)C)n1.
What is the InChIKey of N-[[2-(3-tert-butyl-1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine?
The InChIKey is HDXROQWKXDVTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-6-7-16-8-11-10-20-14(17-11)12-9-19(5)18-13(12)15(2,3)4/h9-10,16H,6-8H2,1-5H3.
What are the key properties of N-[[2-(3-tert-butyl-1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine?
N-[[2-(3-tert-butyl-1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine has a molecular weight of 292.45 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-tert-butyl-1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 83090252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).