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

C14H13F3N4OS — CID 75467751

IUPAC1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]methanamine
SMILESCc1ccc(-c2[nH]ncc2CNCc2nc(C(F)(F)F)cs2)o1
InChIInChI=1S/C14H13F3N4OS/c1-8-2-3-10(22-8)13-9(5-19-21-13)4-18-6-12-20-11(7-23-12)14(15,16)17/h2-3,5,7,18H,4,6H2,1H3,(H,19,21)
InChIKeyHAWJYIGDHANWHD-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.74
Rot. Bonds5

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

1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]methanamine (PubChem CID 75467751) has the molecular formula C14H13F3N4OS and a molecular weight of 342.35 g/mol. Its IUPAC name is 1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]methanamine
PubChem CID75467751
Molecular FormulaC14H13F3N4OS
Molecular Weight342.35 g/mol
Exact Mass342.08
IUPAC Name1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]methanamine
SMILESCc1ccc(-c2[nH]ncc2CNCc2nc(C(F)(F)F)cs2)o1
InChIInChI=1S/C14H13F3N4OS/c1-8-2-3-10(22-8)13-9(5-19-21-13)4-18-6-12-20-11(7-23-12)14(15,16)17/h2-3,5,7,18H,4,6H2,1H3,(H,19,21)
InChIKeyHAWJYIGDHANWHD-UHFFFAOYSA-N
XLogP3.74
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]methanamine?
The IUPAC name of 1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]methanamine (CID 75467751) is 1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]methanamine.
What is the SMILES notation for 1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]methanamine?
The canonical SMILES for 1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]methanamine is Cc1ccc(-c2[nH]ncc2CNCc2nc(C(F)(F)F)cs2)o1.
What is the InChIKey of 1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]methanamine?
The InChIKey is HAWJYIGDHANWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4OS/c1-8-2-3-10(22-8)13-9(5-19-21-13)4-18-6-12-20-11(7-23-12)14(15,16)17/h2-3,5,7,18H,4,6H2,1H3,(H,19,21).
What are the key properties of 1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]methanamine?
1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]methanamine has a molecular weight of 342.35 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]methanamine is sourced from PubChem (CID 75467751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).