N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine

C16H20N4OS — CID 119123873

IUPACN-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
SMILESCCC(NCc1cn[nH]c1-c1ccc(C)o1)c1nc(C)cs1
InChIInChI=1S/C16H20N4OS/c1-4-13(16-19-10(2)9-22-16)17-7-12-8-18-20-15(12)14-6-5-11(3)21-14/h5-6,8-9,13,17H,4,7H2,1-3H3,(H,18,20)
InChIKeyFVGNWBQEPCDVFI-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.98
Rot. Bonds6

About N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine

N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine (PubChem CID 119123873) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
PubChem CID119123873
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC NameN-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
SMILESCCC(NCc1cn[nH]c1-c1ccc(C)o1)c1nc(C)cs1
InChIInChI=1S/C16H20N4OS/c1-4-13(16-19-10(2)9-22-16)17-7-12-8-18-20-15(12)14-6-5-11(3)21-14/h5-6,8-9,13,17H,4,7H2,1-3H3,(H,18,20)
InChIKeyFVGNWBQEPCDVFI-UHFFFAOYSA-N
XLogP3.98
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]butan-2-amine
CID 43756376
(2S)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-1-ol
CID 104980741
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methanamine
CID 119123807
N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 43783911
2,2-dimethoxy-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 60817298
N-(1H-imidazol-2-ylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine
CID 115618906
2-(hydroxymethyl)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propane-1,3-diol
CID 107850384
2,4,4-trimethyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pentan-2-amine
CID 43788231
N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-thiophen-2-ylethanamine
CID 43763630
(2R)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 95290669
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63091936
2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetic acid
CID 43774244

Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine (CID 119123873) is N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine is CCC(NCc1cn[nH]c1-c1ccc(C)o1)c1nc(C)cs1.
What is the InChIKey of N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is FVGNWBQEPCDVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-4-13(16-19-10(2)9-22-16)17-7-12-8-18-20-15(12)14-6-5-11(3)21-14/h5-6,8-9,13,17H,4,7H2,1-3H3,(H,18,20).
What are the key properties of N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine?
N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 316.43 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(4-methyl-1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 119123873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).