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

C9H11F3N4S — CID 120971329

IUPAC5-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCC1CN=C(NCc2nc(C(F)(F)F)cs2)N1
InChIInChI=1S/C9H11F3N4S/c1-5-2-13-8(15-5)14-3-7-16-6(4-17-7)9(10,11)12/h4-5H,2-3H2,1H3,(H2,13,14,15)
InChIKeyTXEBTLJXJKODHC-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.60
Rot. Bonds2

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

5-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 120971329) has the molecular formula C9H11F3N4S and a molecular weight of 264.28 g/mol. Its IUPAC name is 5-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID120971329
Molecular FormulaC9H11F3N4S
Molecular Weight264.28 g/mol
Exact Mass264.07
IUPAC Name5-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCC1CN=C(NCc2nc(C(F)(F)F)cs2)N1
InChIInChI=1S/C9H11F3N4S/c1-5-2-13-8(15-5)14-3-7-16-6(4-17-7)9(10,11)12/h4-5H,2-3H2,1H3,(H2,13,14,15)
InChIKeyTXEBTLJXJKODHC-UHFFFAOYSA-N
XLogP1.60
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of 5-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine (CID 120971329) is 5-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for 5-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for 5-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine is CC1CN=C(NCc2nc(C(F)(F)F)cs2)N1.
What is the InChIKey of 5-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is TXEBTLJXJKODHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4S/c1-5-2-13-8(15-5)14-3-7-16-6(4-17-7)9(10,11)12/h4-5H,2-3H2,1H3,(H2,13,14,15).
What are the key properties of 5-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine?
5-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 264.28 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 120971329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).