4-(4-methylphenyl)-2,2-bis(trifluoromethyl)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine

C14H11F6N3S — CID 3626396

IUPAC4-(4-methylphenyl)-2,2-bis(trifluoromethyl)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine
SMILESCc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)N=C3SCCN32)cc1
InChIInChI=1S/C14H11F6N3S/c1-8-2-4-9(5-3-8)10-21-12(13(15,16)17,14(18,19)20)22-11-23(10)6-7-24-11/h2-5H,6-7H2,1H3
InChIKeyORIMSNVFEJMJDR-UHFFFAOYSA-N
MW367.32 g/mol
LogP3.98
Rot. Bonds1

About 4-(4-methylphenyl)-2,2-bis(trifluoromethyl)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine

4-(4-methylphenyl)-2,2-bis(trifluoromethyl)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine (PubChem CID 3626396) has the molecular formula C14H11F6N3S and a molecular weight of 367.32 g/mol. Its IUPAC name is 4-(4-methylphenyl)-2,2-bis(trifluoromethyl)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine.

Molecular Properties

Compound Name4-(4-methylphenyl)-2,2-bis(trifluoromethyl)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine
PubChem CID3626396
Molecular FormulaC14H11F6N3S
Molecular Weight367.32 g/mol
Exact Mass367.06
IUPAC Name4-(4-methylphenyl)-2,2-bis(trifluoromethyl)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine
SMILESCc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)N=C3SCCN32)cc1
InChIInChI=1S/C14H11F6N3S/c1-8-2-4-9(5-3-8)10-21-12(13(15,16)17,14(18,19)20)22-11-23(10)6-7-24-11/h2-5H,6-7H2,1H3
InChIKeyORIMSNVFEJMJDR-UHFFFAOYSA-N
XLogP3.98
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-methylphenyl)-2,2-bis(trifluoromethyl)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine with MolForge

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Related Compounds

4-(2-fluorophenyl)-7-methyl-2H-[1,3]thiazolo[3,2-a][1,3,5]triazine-2-thione
CID 717973
3-(4-Fluorobenzyl)thiazolidin-2-ylidene cyanamide
CID 145945613
3-(3-Fluorobenzyl)thiazolidin-2-ylidene-cyanamide
CID 145945615
3-(2-Fluorobenzyl)thiazolidin-2-ylidene cyanamide
CID 145945618
2-cyanimino-N-(4-methylbenzyl)-thiazolidine
CID 14306206
4-(4-chlorophenyl)-2,2-bis(trifluoromethyl)-6,7-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazine
CID 145920820
[3-[1-(4-Fluorophenyl)ethyl]-1,3-thiazolidin-2-ylidene]cyanamide
CID 12056894
[3-[1-[4-(Trifluoromethyl)phenyl]ethyl]-1,3-thiazolidin-2-ylidene]cyanamide
CID 12056895
N-benzyl-N-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 54073440
[3-[1-(2-Fluorophenyl)ethyl]-1,3-thiazolidin-2-ylidene]cyanamide
CID 60126537
[3-[1-(2,6-Difluorophenyl)ethyl]-1,3-thiazolidin-2-ylidene]cyanamide
CID 60126547
4-(4-fluorophenyl)-2,2-bis(trifluoromethyl)-6,7-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazine
CID 3492756

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-2,2-bis(trifluoromethyl)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine?
The IUPAC name of 4-(4-methylphenyl)-2,2-bis(trifluoromethyl)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine (CID 3626396) is 4-(4-methylphenyl)-2,2-bis(trifluoromethyl)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine.
What is the SMILES notation for 4-(4-methylphenyl)-2,2-bis(trifluoromethyl)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine?
The canonical SMILES for 4-(4-methylphenyl)-2,2-bis(trifluoromethyl)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine is Cc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)N=C3SCCN32)cc1.
What is the InChIKey of 4-(4-methylphenyl)-2,2-bis(trifluoromethyl)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine?
The InChIKey is ORIMSNVFEJMJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F6N3S/c1-8-2-4-9(5-3-8)10-21-12(13(15,16)17,14(18,19)20)22-11-23(10)6-7-24-11/h2-5H,6-7H2,1H3.
What are the key properties of 4-(4-methylphenyl)-2,2-bis(trifluoromethyl)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine?
4-(4-methylphenyl)-2,2-bis(trifluoromethyl)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine has a molecular weight of 367.32 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-2,2-bis(trifluoromethyl)-6,7-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazine is sourced from PubChem (CID 3626396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).