N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methanamine

C17H22N4OS — CID 119123807

IUPACN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methanamine
SMILESCc1ccc(-c2[nH]ncc2CNCc2nc(C(C)(C)C)cs2)o1
InChIInChI=1S/C17H22N4OS/c1-11-5-6-13(22-11)16-12(8-19-21-16)7-18-9-15-20-14(10-23-15)17(2,3)4/h5-6,8,10,18H,7,9H2,1-4H3,(H,19,21)
InChIKeyXQPWZCUVKZEQNS-UHFFFAOYSA-N
MW330.46 g/mol
LogP4.02
Rot. Bonds5

About N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methanamine

N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methanamine (PubChem CID 119123807) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methanamine.

Molecular Properties

Compound NameN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methanamine
PubChem CID119123807
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC NameN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methanamine
SMILESCc1ccc(-c2[nH]ncc2CNCc2nc(C(C)(C)C)cs2)o1
InChIInChI=1S/C17H22N4OS/c1-11-5-6-13(22-11)16-12(8-19-21-16)7-18-9-15-20-14(10-23-15)17(2,3)4/h5-6,8,10,18H,7,9H2,1-4H3,(H,19,21)
InChIKeyXQPWZCUVKZEQNS-UHFFFAOYSA-N
XLogP4.02
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methanamine with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]methanamine
CID 43433346
2-methyl-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-2-ol
CID 63680783
N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-thiophen-2-ylethanamine
CID 43763630
N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 119123873
2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetic acid
CID 43774244
2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]but-3-yn-2-amine
CID 63997715
2,2-dimethoxy-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 60817298
2-(hydroxymethyl)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propane-1,3-diol
CID 107850384
4-[[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol
CID 120962125
2-[2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]ethoxy]ethanol
CID 43771485
N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]butan-2-amine
CID 43756376
N-[[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62544012

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methanamine?
The IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methanamine (CID 119123807) is N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methanamine.
What is the SMILES notation for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methanamine?
The canonical SMILES for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methanamine is Cc1ccc(-c2[nH]ncc2CNCc2nc(C(C)(C)C)cs2)o1.
What is the InChIKey of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methanamine?
The InChIKey is XQPWZCUVKZEQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-11-5-6-13(22-11)16-12(8-19-21-16)7-18-9-15-20-14(10-23-15)17(2,3)4/h5-6,8,10,18H,7,9H2,1-4H3,(H,19,21).
What are the key properties of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methanamine?
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methanamine has a molecular weight of 330.46 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methanamine is sourced from PubChem (CID 119123807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).