4-imidazol-1-yl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,5-triazin-2-amine

C10H6F3N7S — CID 106784396

IUPAC4-imidazol-1-yl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,5-triazin-2-amine
SMILESNc1nc(-c2cnc(C(F)(F)F)s2)nc(-n2ccnc2)n1
InChIInChI=1S/C10H6F3N7S/c11-10(12,13)7-16-3-5(21-7)6-17-8(14)19-9(18-6)20-2-1-15-4-20/h1-4H,(H2,14,17,18,19)
InChIKeyZYUDHHNCHAVFJF-UHFFFAOYSA-N
MW313.27 g/mol
LogP1.78
Rot. Bonds2

About 4-imidazol-1-yl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,5-triazin-2-amine

4-imidazol-1-yl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,5-triazin-2-amine (PubChem CID 106784396) has the molecular formula C10H6F3N7S and a molecular weight of 313.27 g/mol. Its IUPAC name is 4-imidazol-1-yl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-imidazol-1-yl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,5-triazin-2-amine
PubChem CID106784396
Molecular FormulaC10H6F3N7S
Molecular Weight313.27 g/mol
Exact Mass313.04
IUPAC Name4-imidazol-1-yl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,5-triazin-2-amine
SMILESNc1nc(-c2cnc(C(F)(F)F)s2)nc(-n2ccnc2)n1
InChIInChI=1S/C10H6F3N7S/c11-10(12,13)7-16-3-5(21-7)6-17-8(14)19-9(18-6)20-2-1-15-4-20/h1-4H,(H2,14,17,18,19)
InChIKeyZYUDHHNCHAVFJF-UHFFFAOYSA-N
XLogP1.78
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N,N-dimethyl-5-{1-[(5-methylpyrazin-2-yl)methyl]-1H-imidazol-2-yl}-1,3-thiazol-2-amine
CID 56868675
5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-methyl-1,3-thiazole
CID 86774841
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-(trifluoromethyl)-1,3-thiazole
CID 137986514
2-(4-methylpiperazin-1-yl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1,3-thiazole
CID 90054393
2-Chloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(difluoromethyl)imidazol-2-yl]-1,3-thiazole
CID 170633067
5-[1-[(5-Chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-2-fluoro-1,3-thiazole
CID 170633072
2-Bromo-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
CID 172596823
2-[1-[(5-Chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
CID 176842806
5-[1-[(5-Chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
CID 176842808
2-Chloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
CID 176842812
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine
CID 61280049
2-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine
CID 106783901

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-imidazol-1-yl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,5-triazin-2-amine (CID 106784396) is 4-imidazol-1-yl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-imidazol-1-yl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-imidazol-1-yl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,5-triazin-2-amine is Nc1nc(-c2cnc(C(F)(F)F)s2)nc(-n2ccnc2)n1.
What is the InChIKey of 4-imidazol-1-yl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,5-triazin-2-amine?
The InChIKey is ZYUDHHNCHAVFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N7S/c11-10(12,13)7-16-3-5(21-7)6-17-8(14)19-9(18-6)20-2-1-15-4-20/h1-4H,(H2,14,17,18,19).
What are the key properties of 4-imidazol-1-yl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,5-triazin-2-amine?
4-imidazol-1-yl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,5-triazin-2-amine has a molecular weight of 313.27 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 106784396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).