N-(1H-imidazol-5-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine

C8H7F3N4S — CID 59728200

IUPACN-(1H-imidazol-5-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)c1csc(NCc2cnc[nH]2)n1
InChIInChI=1S/C8H7F3N4S/c9-8(10,11)6-3-16-7(15-6)13-2-5-1-12-4-14-5/h1,3-4H,2H2,(H,12,14)(H,13,15)
InChIKeyCZOXNVPMXQOUBP-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.50
Rot. Bonds3

About N-(1H-imidazol-5-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine

N-(1H-imidazol-5-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 59728200) has the molecular formula C8H7F3N4S and a molecular weight of 248.23 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID59728200
Molecular FormulaC8H7F3N4S
Molecular Weight248.23 g/mol
Exact Mass248.03
IUPAC NameN-(1H-imidazol-5-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)c1csc(NCc2cnc[nH]2)n1
InChIInChI=1S/C8H7F3N4S/c9-8(10,11)6-3-16-7(15-6)13-2-5-1-12-4-14-5/h1,3-4H,2H2,(H,12,14)(H,13,15)
InChIKeyCZOXNVPMXQOUBP-UHFFFAOYSA-N
XLogP2.50
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 59728200) is N-(1H-imidazol-5-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine is FC(F)(F)c1csc(NCc2cnc[nH]2)n1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is CZOXNVPMXQOUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4S/c9-8(10,11)6-3-16-7(15-6)13-2-5-1-12-4-14-5/h1,3-4H,2H2,(H,12,14)(H,13,15).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-(1H-imidazol-5-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 248.23 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 59728200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).