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

C11H11F3N2OS — CID 133382304

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCc1ccc(CN(C)c2nc(C(F)(F)F)cs2)o1
InChIInChI=1S/C11H11F3N2OS/c1-7-3-4-8(17-7)5-16(2)10-15-9(6-18-10)11(12,13)14/h3-4,6H,5H2,1-2H3
InChIKeyAQOVCGJSWBSIBL-UHFFFAOYSA-N
MW276.28 g/mol
LogP3.70
Rot. Bonds3

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

N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 133382304) has the molecular formula C11H11F3N2OS and a molecular weight of 276.28 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID133382304
Molecular FormulaC11H11F3N2OS
Molecular Weight276.28 g/mol
Exact Mass276.05
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCc1ccc(CN(C)c2nc(C(F)(F)F)cs2)o1
InChIInChI=1S/C11H11F3N2OS/c1-7-3-4-8(17-7)5-16(2)10-15-9(6-18-10)11(12,13)14/h3-4,6H,5H2,1-2H3
InChIKeyAQOVCGJSWBSIBL-UHFFFAOYSA-N
XLogP3.70
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 133382304) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is Cc1ccc(CN(C)c2nc(C(F)(F)F)cs2)o1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is AQOVCGJSWBSIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2OS/c1-7-3-4-8(17-7)5-16(2)10-15-9(6-18-10)11(12,13)14/h3-4,6H,5H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 276.28 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 133382304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).