N-(1-phenylethyl)-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine

C25H21N5S — CID 44586767

IUPACN-(1-phenylethyl)-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine
SMILESCC(Nc1nccc(/C=C/c2c(-c3ccccc3)nc3sccn23)n1)c1ccccc1
InChIInChI=1S/C25H21N5S/c1-18(19-8-4-2-5-9-19)27-24-26-15-14-21(28-24)12-13-22-23(20-10-6-3-7-11-20)29-25-30(22)16-17-31-25/h2-18H,1H3,(H,26,27,28)/b13-12+
InChIKeyWKBACBJIPAQRKE-OUKQBFOZSA-N
MW423.55 g/mol
LogP6.20
Rot. Bonds6

About N-(1-phenylethyl)-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine

N-(1-phenylethyl)-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine (PubChem CID 44586767) has the molecular formula C25H21N5S and a molecular weight of 423.55 g/mol. Its IUPAC name is N-(1-phenylethyl)-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-phenylethyl)-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine
PubChem CID44586767
Molecular FormulaC25H21N5S
Molecular Weight423.55 g/mol
Exact Mass423.15
IUPAC NameN-(1-phenylethyl)-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine
SMILESCC(Nc1nccc(/C=C/c2c(-c3ccccc3)nc3sccn23)n1)c1ccccc1
InChIInChI=1S/C25H21N5S/c1-18(19-8-4-2-5-9-19)27-24-26-15-14-21(28-24)12-13-22-23(20-10-6-3-7-11-20)29-25-30(22)16-17-31-25/h2-18H,1H3,(H,26,27,28)/b13-12+
InChIKeyWKBACBJIPAQRKE-OUKQBFOZSA-N
XLogP6.20
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.55
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Timegadine
CID 68902
[4-(6-Methyl-imidazo[2,1-b]thiazol-5-yl)-thiazol-2-yl]-(4-methyl-pyridin-2-yl)-amine
CID 644740
3-{Imidazo[2,1-b][1,3]thiazol-6-yl}aniline
CID 3312672
Imidazopyridine 10e
CID 5329344
Imidazopyridine 10f
CID 5329345
Ikk-IN-3
CID 10215156
N,12-dimethyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823960
12-methyl-4-phenyl-N-[2-(piperidin-1-yl)ethyl]-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823975
Dimethyl[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]amine
CID 20823982
N-ethyl-12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20824060
4-[6-(4-Fluorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
CID 44579300
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 685797

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine?
The IUPAC name of N-(1-phenylethyl)-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine (CID 44586767) is N-(1-phenylethyl)-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine.
What is the SMILES notation for N-(1-phenylethyl)-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine?
The canonical SMILES for N-(1-phenylethyl)-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine is CC(Nc1nccc(/C=C/c2c(-c3ccccc3)nc3sccn23)n1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine?
The InChIKey is WKBACBJIPAQRKE-OUKQBFOZSA-N. The full InChI is InChI=1S/C25H21N5S/c1-18(19-8-4-2-5-9-19)27-24-26-15-14-21(28-24)12-13-22-23(20-10-6-3-7-11-20)29-25-30(22)16-17-31-25/h2-18H,1H3,(H,26,27,28)/b13-12+.
What are the key properties of N-(1-phenylethyl)-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine?
N-(1-phenylethyl)-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine has a molecular weight of 423.55 g/mol, XLogP of 6.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-4-[(E)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine is sourced from PubChem (CID 44586767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).