4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine;ethane

C19H22F3N5S — CID 143143317

IUPAC4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine;ethane
SMILESCC.CNc1ccc(Nc2nccc(-c3sc(C)nc3C)n2)cc1C(F)(F)F
InChIInChI=1S/C17H16F3N5S.C2H6/c1-9-15(26-10(2)23-9)14-6-7-22-16(25-14)24-11-4-5-13(21-3)12(8-11)17(18,19)20;1-2/h4-8,21H,1-3H3,(H,22,24,25);1-2H3
InChIKeyVYMJQCFTSJBPBW-UHFFFAOYSA-N
MW409.48 g/mol
LogP6.05
Rot. Bonds4

About 4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine;ethane

4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine;ethane (PubChem CID 143143317) has the molecular formula C19H22F3N5S and a molecular weight of 409.48 g/mol. Its IUPAC name is 4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine;ethane.

Molecular Properties

Compound Name4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine;ethane
PubChem CID143143317
Molecular FormulaC19H22F3N5S
Molecular Weight409.48 g/mol
Exact Mass409.15
IUPAC Name4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine;ethane
SMILESCC.CNc1ccc(Nc2nccc(-c3sc(C)nc3C)n2)cc1C(F)(F)F
InChIInChI=1S/C17H16F3N5S.C2H6/c1-9-15(26-10(2)23-9)14-6-7-22-16(25-14)24-11-4-5-13(21-3)12(8-11)17(18,19)20;1-2/h4-8,21H,1-3H3,(H,22,24,25);1-2H3
InChIKeyVYMJQCFTSJBPBW-UHFFFAOYSA-N
XLogP6.05
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.48
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine;ethane with MolForge

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Related Compounds

N-(4-fluoro-3-methylphenyl)-4-[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 67349230
N-(6-chloro-3-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine
CID 11255595
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine
CID 11538234
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-iodophenyl)pyrimidin-2-amine
CID 10001471
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine
CID 10090332
N-(3,4-difluorophenyl)-4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrimidin-2-amine
CID 10091163
2-[4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-ethylanilino]ethanol
CID 10177145
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-amine
CID 11717857
4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenol
CID 6539292
3-[[4-[4-methyl-2-(2-methylanilino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenol
CID 87954429
2-methyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3-benzothiazol-6-amine
CID 36574929
CID 89370521
CID 89370521

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine;ethane?
The IUPAC name of 4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine;ethane (CID 143143317) is 4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine;ethane.
What is the SMILES notation for 4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine;ethane?
The canonical SMILES for 4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine;ethane is CC.CNc1ccc(Nc2nccc(-c3sc(C)nc3C)n2)cc1C(F)(F)F.
What is the InChIKey of 4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine;ethane?
The InChIKey is VYMJQCFTSJBPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5S.C2H6/c1-9-15(26-10(2)23-9)14-6-7-22-16(25-14)24-11-4-5-13(21-3)12(8-11)17(18,19)20;1-2/h4-8,21H,1-3H3,(H,22,24,25);1-2H3.
What are the key properties of 4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine;ethane?
4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine;ethane has a molecular weight of 409.48 g/mol, XLogP of 6.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]-1-N-methyl-2-(trifluoromethyl)benzene-1,4-diamine;ethane is sourced from PubChem (CID 143143317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).