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

C9H9F3N4S — CID 138018973

IUPACN-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCc1cnc(CNc2nc(C(F)(F)F)cs2)[nH]1
InChIInChI=1S/C9H9F3N4S/c1-5-2-13-7(15-5)3-14-8-16-6(4-17-8)9(10,11)12/h2,4H,3H2,1H3,(H,13,15)(H,14,16)
InChIKeyJXQLYQVDUOLCDG-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.81
Rot. Bonds3

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

N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 138018973) has the molecular formula C9H9F3N4S and a molecular weight of 262.26 g/mol. Its IUPAC name is N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID138018973
Molecular FormulaC9H9F3N4S
Molecular Weight262.26 g/mol
Exact Mass262.05
IUPAC NameN-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCc1cnc(CNc2nc(C(F)(F)F)cs2)[nH]1
InChIInChI=1S/C9H9F3N4S/c1-5-2-13-7(15-5)3-14-8-16-6(4-17-8)9(10,11)12/h2,4H,3H2,1H3,(H,13,15)(H,14,16)
InChIKeyJXQLYQVDUOLCDG-UHFFFAOYSA-N
XLogP2.81
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 138018973) is N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is Cc1cnc(CNc2nc(C(F)(F)F)cs2)[nH]1.
What is the InChIKey of N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is JXQLYQVDUOLCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4S/c1-5-2-13-7(15-5)3-14-8-16-6(4-17-8)9(10,11)12/h2,4H,3H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 262.26 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 138018973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).