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

C13H14N4OS — CID 49464745

IUPACN-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(1,3-thiazol-4-yl)methanamine
SMILESCc1ccc(-c2[nH]ncc2CNCc2cscn2)o1
InChIInChI=1S/C13H14N4OS/c1-9-2-3-12(18-9)13-10(5-16-17-13)4-14-6-11-7-19-8-15-11/h2-3,5,7-8,14H,4,6H2,1H3,(H,16,17)
InChIKeyZXALSYZRMJNCBM-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.72
Rot. Bonds5

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

N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(1,3-thiazol-4-yl)methanamine (PubChem CID 49464745) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(1,3-thiazol-4-yl)methanamine
PubChem CID49464745
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC NameN-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(1,3-thiazol-4-yl)methanamine
SMILESCc1ccc(-c2[nH]ncc2CNCc2cscn2)o1
InChIInChI=1S/C13H14N4OS/c1-9-2-3-12(18-9)13-10(5-16-17-13)4-14-6-11-7-19-8-15-11/h2-3,5,7-8,14H,4,6H2,1H3,(H,16,17)
InChIKeyZXALSYZRMJNCBM-UHFFFAOYSA-N
XLogP2.72
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(1,3-thiazol-4-yl)methanamine?
The IUPAC name of N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(1,3-thiazol-4-yl)methanamine (CID 49464745) is N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(1,3-thiazol-4-yl)methanamine?
The canonical SMILES for N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(1,3-thiazol-4-yl)methanamine is Cc1ccc(-c2[nH]ncc2CNCc2cscn2)o1.
What is the InChIKey of N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(1,3-thiazol-4-yl)methanamine?
The InChIKey is ZXALSYZRMJNCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-9-2-3-12(18-9)13-10(5-16-17-13)4-14-6-11-7-19-8-15-11/h2-3,5,7-8,14H,4,6H2,1H3,(H,16,17).
What are the key properties of N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(1,3-thiazol-4-yl)methanamine?
N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(1,3-thiazol-4-yl)methanamine has a molecular weight of 274.35 g/mol, XLogP of 2.72, 5 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-(1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 49464745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).