5-[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]pyrimidin-4-yl]-4-(4-fluorophenyl)-1,3-thiazol-2-amine

C25H24FN7S — CID 168867745

IUPAC5-[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]pyrimidin-4-yl]-4-(4-fluorophenyl)-1,3-thiazol-2-amine
SMILESCN(C)CCn1ccc2cc(Nc3nccc(-c4sc(N)nc4-c4ccc(F)cc4)n3)ccc21
InChIInChI=1S/C25H24FN7S/c1-32(2)13-14-33-12-10-17-15-19(7-8-21(17)33)29-25-28-11-9-20(30-25)23-22(31-24(27)34-23)16-3-5-18(26)6-4-16/h3-12,15H,13-14H2,1-2H3,(H2,27,31)(H,28,29,30)
InChIKeyGVTAHAQJWXPLKN-UHFFFAOYSA-N
MW473.58 g/mol
LogP5.25
Rot. Bonds7

About 5-[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]pyrimidin-4-yl]-4-(4-fluorophenyl)-1,3-thiazol-2-amine

5-[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]pyrimidin-4-yl]-4-(4-fluorophenyl)-1,3-thiazol-2-amine (PubChem CID 168867745) has the molecular formula C25H24FN7S and a molecular weight of 473.58 g/mol. Its IUPAC name is 5-[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]pyrimidin-4-yl]-4-(4-fluorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]pyrimidin-4-yl]-4-(4-fluorophenyl)-1,3-thiazol-2-amine
PubChem CID168867745
Molecular FormulaC25H24FN7S
Molecular Weight473.58 g/mol
Exact Mass473.18
IUPAC Name5-[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]pyrimidin-4-yl]-4-(4-fluorophenyl)-1,3-thiazol-2-amine
SMILESCN(C)CCn1ccc2cc(Nc3nccc(-c4sc(N)nc4-c4ccc(F)cc4)n3)ccc21
InChIInChI=1S/C25H24FN7S/c1-32(2)13-14-33-12-10-17-15-19(7-8-21(17)33)29-25-28-11-9-20(30-25)23-22(31-24(27)34-23)16-3-5-18(26)6-4-16/h3-12,15H,13-14H2,1-2H3,(H2,27,31)(H,28,29,30)
InChIKeyGVTAHAQJWXPLKN-UHFFFAOYSA-N
XLogP5.25
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.58
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-Thiazolamine, N-(5-ethyl-2,4-dimethylphenyl)-4-(3-fluoro-4-(4-methyl-1H-imidazol-1-yl)phenyl)-
CID 46853593
N-ethyl-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 21083906
4-(4-fluorophenyl)-12-methyl-N-[2-(piperidin-1-yl)ethyl]-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 25263294
4-[6-(4-Fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
CID 44579300
[4-(2-Methyl-imidazo[1,2-a]pyrimidin-3-yl)-thiazol-2-yl]-p-tolyl-amine
CID 2898055
6-N-(2-anilinoethyl)-4-N-(1H-indol-5-yl)-6-N-pyrrol-1-ylthieno[3,2-d]pyrimidine-4,6-diamine
CID 44316765
4-[2-[(Dimethylamino)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
CID 44579299
4-[4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 145979645
4-[4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine
CID 145991173
4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine
CID 145991893
4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 155546230
N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-(1H-indol-6-yl)thieno[3,2-d]pyrimidin-2-amine
CID 164627693

Frequently Asked Questions

What is the IUPAC name of 5-[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]pyrimidin-4-yl]-4-(4-fluorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]pyrimidin-4-yl]-4-(4-fluorophenyl)-1,3-thiazol-2-amine (CID 168867745) is 5-[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]pyrimidin-4-yl]-4-(4-fluorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]pyrimidin-4-yl]-4-(4-fluorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]pyrimidin-4-yl]-4-(4-fluorophenyl)-1,3-thiazol-2-amine is CN(C)CCn1ccc2cc(Nc3nccc(-c4sc(N)nc4-c4ccc(F)cc4)n3)ccc21.
What is the InChIKey of 5-[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]pyrimidin-4-yl]-4-(4-fluorophenyl)-1,3-thiazol-2-amine?
The InChIKey is GVTAHAQJWXPLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7S/c1-32(2)13-14-33-12-10-17-15-19(7-8-21(17)33)29-25-28-11-9-20(30-25)23-22(31-24(27)34-23)16-3-5-18(26)6-4-16/h3-12,15H,13-14H2,1-2H3,(H2,27,31)(H,28,29,30).
What are the key properties of 5-[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]pyrimidin-4-yl]-4-(4-fluorophenyl)-1,3-thiazol-2-amine?
5-[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]pyrimidin-4-yl]-4-(4-fluorophenyl)-1,3-thiazol-2-amine has a molecular weight of 473.58 g/mol, XLogP of 5.25, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]pyrimidin-4-yl]-4-(4-fluorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 168867745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).