1H-indol-3-yl(pyrazin-2-yl)methanone;methyl 2-methyl-1,3-thiazole-4-carboxylate;molecular hydrogen

C19H18N4O3S — CID 142391614

IUPAC1H-indol-3-yl(pyrazin-2-yl)methanone;methyl 2-methyl-1,3-thiazole-4-carboxylate;molecular hydrogen
SMILESCOC(=O)c1csc(C)n1.O=C(c1cnccn1)c1c[nH]c2ccccc12.[H][H]
InChIInChI=1S/C13H9N3O.C6H7NO2S.H2/c17-13(12-8-14-5-6-15-12)10-7-16-11-4-2-1-3-9(10)11;1-4-7-5(3-10-4)6(8)9-2;/h1-8,16H;3H,1-2H3;1H
InChIKeyXDPXGVMUVUNDCU-UHFFFAOYSA-N
MW382.45 g/mol
LogP3.67
Rot. Bonds3

About 1H-indol-3-yl(pyrazin-2-yl)methanone;methyl 2-methyl-1,3-thiazole-4-carboxylate;molecular hydrogen

1H-indol-3-yl(pyrazin-2-yl)methanone;methyl 2-methyl-1,3-thiazole-4-carboxylate;molecular hydrogen (PubChem CID 142391614) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 1H-indol-3-yl(pyrazin-2-yl)methanone;methyl 2-methyl-1,3-thiazole-4-carboxylate;molecular hydrogen.

Molecular Properties

Compound Name1H-indol-3-yl(pyrazin-2-yl)methanone;methyl 2-methyl-1,3-thiazole-4-carboxylate;molecular hydrogen
PubChem CID142391614
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name1H-indol-3-yl(pyrazin-2-yl)methanone;methyl 2-methyl-1,3-thiazole-4-carboxylate;molecular hydrogen
SMILESCOC(=O)c1csc(C)n1.O=C(c1cnccn1)c1c[nH]c2ccccc12.[H][H]
InChIInChI=1S/C13H9N3O.C6H7NO2S.H2/c17-13(12-8-14-5-6-15-12)10-7-16-11-4-2-1-3-9(10)11;1-4-7-5(3-10-4)6(8)9-2;/h1-8,16H;3H,1-2H3;1H
InChIKeyXDPXGVMUVUNDCU-UHFFFAOYSA-N
XLogP3.67
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1H-indol-3-yl(pyrazin-2-yl)methanone;methyl 2-methyl-1,3-thiazole-4-carboxylate;molecular hydrogen 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

2-(1H-Indol-3-ylcarbonyl)-4-thiazolecarboxylic acid methyl ester
CID 4668801
Indothiazinone
CID 69252541
1-(4-benzoylpiperazin-1-yl)-2-[7-(4-methylthiazol-2-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 71517533
1-(4-fluoro-1H-indol-3-yl)-2-[4-(2-methylthiazole-4-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 506353
piperazine, 1-[2-(4-fluoro-1H-indol-3-yl)-1,2-dioxoethyl]-4-(4-thiazolylcarbonyl)-
CID 506354
ITE-CONHMe
CID 118656024
Indolokine A5
CID 23651846
Indolokine A3
CID 156515665
methyl (2S)-3-(1H-indol-3-yl)-2-[2-[(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)amino]prop-2-enoylamino]propanoate
CID 11271469
ethyl 2-[(1S)-2-methyl-1-(quinoline-3-carbonylamino)propyl]-1,3-thiazole-4-carboxylate
CID 90676942
Methyl 2-(5-fluoro-1H-indole-3-carbonyl)thiazole-4-carboxylate
CID 139497394
2-(5-fluoro-1H-indole-3-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 147680873

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl(pyrazin-2-yl)methanone;methyl 2-methyl-1,3-thiazole-4-carboxylate;molecular hydrogen?
The IUPAC name of 1H-indol-3-yl(pyrazin-2-yl)methanone;methyl 2-methyl-1,3-thiazole-4-carboxylate;molecular hydrogen (CID 142391614) is 1H-indol-3-yl(pyrazin-2-yl)methanone;methyl 2-methyl-1,3-thiazole-4-carboxylate;molecular hydrogen.
What is the SMILES notation for 1H-indol-3-yl(pyrazin-2-yl)methanone;methyl 2-methyl-1,3-thiazole-4-carboxylate;molecular hydrogen?
The canonical SMILES for 1H-indol-3-yl(pyrazin-2-yl)methanone;methyl 2-methyl-1,3-thiazole-4-carboxylate;molecular hydrogen is COC(=O)c1csc(C)n1.O=C(c1cnccn1)c1c[nH]c2ccccc12.[H][H].
What is the InChIKey of 1H-indol-3-yl(pyrazin-2-yl)methanone;methyl 2-methyl-1,3-thiazole-4-carboxylate;molecular hydrogen?
The InChIKey is XDPXGVMUVUNDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O.C6H7NO2S.H2/c17-13(12-8-14-5-6-15-12)10-7-16-11-4-2-1-3-9(10)11;1-4-7-5(3-10-4)6(8)9-2;/h1-8,16H;3H,1-2H3;1H.
What are the key properties of 1H-indol-3-yl(pyrazin-2-yl)methanone;methyl 2-methyl-1,3-thiazole-4-carboxylate;molecular hydrogen?
1H-indol-3-yl(pyrazin-2-yl)methanone;methyl 2-methyl-1,3-thiazole-4-carboxylate;molecular hydrogen has a molecular weight of 382.45 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl(pyrazin-2-yl)methanone;methyl 2-methyl-1,3-thiazole-4-carboxylate;molecular hydrogen is sourced from PubChem (CID 142391614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).