4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyrazin-2-yl-1,3-thiazole

C22H14F2N4S — CID 58200415

IUPAC4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyrazin-2-yl-1,3-thiazole
SMILESCc1sc(-c2cnccn2)nc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1
InChIInChI=1S/C22H14F2N4S/c1-12-21(28-22(29-12)19-11-25-7-8-26-19)13-5-6-17-14(9-13)10-18(27-17)20-15(23)3-2-4-16(20)24/h2-11,27H,1H3
InChIKeyLSYVTOPKKUONAM-UHFFFAOYSA-N
MW404.45 g/mol
LogP6.00
Rot. Bonds3

About 4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyrazin-2-yl-1,3-thiazole

4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyrazin-2-yl-1,3-thiazole (PubChem CID 58200415) has the molecular formula C22H14F2N4S and a molecular weight of 404.45 g/mol. Its IUPAC name is 4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyrazin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyrazin-2-yl-1,3-thiazole
PubChem CID58200415
Molecular FormulaC22H14F2N4S
Molecular Weight404.45 g/mol
Exact Mass404.09
IUPAC Name4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyrazin-2-yl-1,3-thiazole
SMILESCc1sc(-c2cnccn2)nc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1
InChIInChI=1S/C22H14F2N4S/c1-12-21(28-22(29-12)19-11-25-7-8-26-19)13-5-6-17-14(9-13)10-18(27-17)20-15(23)3-2-4-16(20)24/h2-11,27H,1H3
InChIKeyLSYVTOPKKUONAM-UHFFFAOYSA-N
XLogP6.00
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.45
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyrazin-2-yl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-4-methyl-5-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)-2-(pyridin-2-yl)thiazole
CID 11546121
(R)-4-methyl-5-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)-2-(pyrazin-2-yl)thiazole
CID 11668827
1H-Indole, 3-(2-pyridin-3-yl-thiazol-4-yl)-
CID 711817
3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1H-indole
CID 711829
N-[4-(1H-Indol-3-yl)-thiazol-2-ylmethyl]-guanidine
CID 15636963
4-(1H-indol-3-ylmethyl)-2-methyl-1,3-thiazole
CID 11673059
1-thiophen-3-yl-9H-pyrido[3,4-b]indole
CID 44286020
6-Fluoro-2-(1-methylindol-5-yl)-1,3-benzothiazole
CID 92131165
5-[2-(5,6,7-trifluoro-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole
CID 139545008
1-[1-Ethyl-5-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]indol-3-yl]-3-[(4-fluorophenyl)methyl]urea
CID 152546282
5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-2-ylphenyl)piperazin-1-yl]propyl]-1H-indole
CID 155526720
5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-3-ylphenyl)piperazin-1-yl]propyl]-1H-indole
CID 155534839

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyrazin-2-yl-1,3-thiazole?
The IUPAC name of 4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyrazin-2-yl-1,3-thiazole (CID 58200415) is 4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyrazin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyrazin-2-yl-1,3-thiazole?
The canonical SMILES for 4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyrazin-2-yl-1,3-thiazole is Cc1sc(-c2cnccn2)nc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1.
What is the InChIKey of 4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyrazin-2-yl-1,3-thiazole?
The InChIKey is LSYVTOPKKUONAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2N4S/c1-12-21(28-22(29-12)19-11-25-7-8-26-19)13-5-6-17-14(9-13)10-18(27-17)20-15(23)3-2-4-16(20)24/h2-11,27H,1H3.
What are the key properties of 4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyrazin-2-yl-1,3-thiazole?
4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyrazin-2-yl-1,3-thiazole has a molecular weight of 404.45 g/mol, XLogP of 6.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-5-methyl-2-pyrazin-2-yl-1,3-thiazole is sourced from PubChem (CID 58200415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).