N-(4-tert-butylphenyl)-2-[[2-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

C23H21F3N4S — CID 42641231

IUPACN-(4-tert-butylphenyl)-2-[[2-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCC(C)(C)c1ccc(Nc2ncnc3sc(Cc4ccccc4C(F)(F)F)nc23)cc1
InChIInChI=1S/C23H21F3N4S/c1-22(2,3)15-8-10-16(11-9-15)29-20-19-21(28-13-27-20)31-18(30-19)12-14-6-4-5-7-17(14)23(24,25)26/h4-11,13H,12H2,1-3H3,(H,27,28,29)
InChIKeyWEVOHMUUOMGPHY-UHFFFAOYSA-N
MW442.51 g/mol
LogP6.74
Rot. Bonds4

About N-(4-tert-butylphenyl)-2-[[2-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

N-(4-tert-butylphenyl)-2-[[2-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 42641231) has the molecular formula C23H21F3N4S and a molecular weight of 442.51 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-[[2-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-[[2-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID42641231
Molecular FormulaC23H21F3N4S
Molecular Weight442.51 g/mol
Exact Mass442.14
IUPAC NameN-(4-tert-butylphenyl)-2-[[2-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCC(C)(C)c1ccc(Nc2ncnc3sc(Cc4ccccc4C(F)(F)F)nc23)cc1
InChIInChI=1S/C23H21F3N4S/c1-22(2,3)15-8-10-16(11-9-15)29-20-19-21(28-13-27-20)31-18(30-19)12-14-6-4-5-7-17(14)23(24,25)26/h4-11,13H,12H2,1-3H3,(H,27,28,29)
InChIKeyWEVOHMUUOMGPHY-UHFFFAOYSA-N
XLogP6.74
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.51
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-tert-butylphenyl)-2-[[2-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine with MolForge

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Related Compounds

3-(4-{4-Amino-6-methylthieno[2,3-d]pyrimidin-5-yl}phenyl)-1-phenylurea
CID 6539971
Thienopyrimidine deriv. 12
CID 6539989
Thienopyrimidine deriv. 16
CID 6539993
Thienopyrimidine deriv. 17
CID 6539994
Thienopyrimidine deriv. 18
CID 6539995
Thienopyrimidine deriv. 24
CID 6540001
Thienopyrimidine deriv. 28
CID 6540005
Thienopyrimidine deriv. 95
CID 6540028
2-[3-(Cyclohexylmethyl)-5-Phenyl-Imidazol-4-Yl]-[1,3]thiazolo[4,5-E]pyrimidin-7-Amine
CID 10362983
N,12-dimethyl-4-phenyl-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 11173949
4-(4-Fluorophenyl)-12-methyl-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 21083789
4-(4-fluorophenyl)-N,12-dimethyl-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 21083790

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-[[2-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of N-(4-tert-butylphenyl)-2-[[2-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 42641231) is N-(4-tert-butylphenyl)-2-[[2-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-[[2-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-2-[[2-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is CC(C)(C)c1ccc(Nc2ncnc3sc(Cc4ccccc4C(F)(F)F)nc23)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-[[2-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is WEVOHMUUOMGPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4S/c1-22(2,3)15-8-10-16(11-9-15)29-20-19-21(28-13-27-20)31-18(30-19)12-14-6-4-5-7-17(14)23(24,25)26/h4-11,13H,12H2,1-3H3,(H,27,28,29).
What are the key properties of N-(4-tert-butylphenyl)-2-[[2-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
N-(4-tert-butylphenyl)-2-[[2-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 442.51 g/mol, XLogP of 6.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-[[2-(trifluoromethyl)phenyl]methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 42641231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).