2-[(2-ethylimidazo[1,2-a]pyrazin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C19H15FN6S — CID 126690062

IUPAC2-[(2-ethylimidazo[1,2-a]pyrazin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1nc2cnccn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C19H15FN6S/c1-3-14-18(26-9-8-22-11-16(26)23-14)25(2)19-24-17(15(10-21)27-19)12-4-6-13(20)7-5-12/h4-9,11H,3H2,1-2H3
InChIKeyBDMPLMSXEHVHHF-UHFFFAOYSA-N
MW378.44 g/mol
LogP4.19
Rot. Bonds4

About 2-[(2-ethylimidazo[1,2-a]pyrazin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

2-[(2-ethylimidazo[1,2-a]pyrazin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 126690062) has the molecular formula C19H15FN6S and a molecular weight of 378.44 g/mol. Its IUPAC name is 2-[(2-ethylimidazo[1,2-a]pyrazin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[(2-ethylimidazo[1,2-a]pyrazin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
PubChem CID126690062
Molecular FormulaC19H15FN6S
Molecular Weight378.44 g/mol
Exact Mass378.11
IUPAC Name2-[(2-ethylimidazo[1,2-a]pyrazin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
SMILESCCc1nc2cnccn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C19H15FN6S/c1-3-14-18(26-9-8-22-11-16(26)23-14)25(2)19-24-17(15(10-21)27-19)12-4-6-13(20)7-5-12/h4-9,11H,3H2,1-2H3
InChIKeyBDMPLMSXEHVHHF-UHFFFAOYSA-N
XLogP4.19
TPSA70.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Imidazopyridine 10e
CID 5329344
Imidazopyridine 10f
CID 5329345
Ikk-IN-3
CID 10215156
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 20823959
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
US9670204, 87 N-(6-(1-(3-(dimethylamino)propyl-sulfonyl)piperidin-4-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methylthiazol-2-amine
CID 90446642
Pifithrin-Beta
CID 443278
7-[7-[4-(4-Methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]thieno[2,3-b]pyrazine
CID 56973462
6-Methyl-2-[5-(2-pyridinyl)-2-thienyl]imidazo[1,2-a]pyridine
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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylimidazo[1,2-a]pyrazin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[(2-ethylimidazo[1,2-a]pyrazin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 126690062) is 2-[(2-ethylimidazo[1,2-a]pyrazin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-[(2-ethylimidazo[1,2-a]pyrazin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[(2-ethylimidazo[1,2-a]pyrazin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is CCc1nc2cnccn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.
What is the InChIKey of 2-[(2-ethylimidazo[1,2-a]pyrazin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is BDMPLMSXEHVHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6S/c1-3-14-18(26-9-8-22-11-16(26)23-14)25(2)19-24-17(15(10-21)27-19)12-4-6-13(20)7-5-12/h4-9,11H,3H2,1-2H3.
What are the key properties of 2-[(2-ethylimidazo[1,2-a]pyrazin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?
2-[(2-ethylimidazo[1,2-a]pyrazin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 378.44 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylimidazo[1,2-a]pyrazin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 126690062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).