1,3-benzothiazole;pyrazine;1H-pyrazole;pyridine;1,3,4-thiadiazole;1,3-thiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;4H-[1,3]thiazolo[5,4-b]pyridin-5-one;[1,3]thiazolo[5,4-c]pyridine

C48H39N17OS7 — CID 157243818

IUPAC1,3-benzothiazole;pyrazine;1H-pyrazole;pyridine;1,3,4-thiadiazole;1,3-thiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;4H-[1,3]thiazolo[5,4-b]pyridin-5-one;[1,3]thiazolo[5,4-c]pyridine
SMILESO=c1ccc2ncsc2[nH]1.c1cc2ncsc2cn1.c1ccc2scnc2c1.c1ccncc1.c1cn[nH]c1.c1cnc2ncsc2c1.c1cnc2scnc2c1.c1cnccn1.c1cscn1.c1nncs1
InChIInChI=1S/C7H5NS.C6H4N2OS.3C6H4N2S.C5H5N.C4H4N2.C3H4N2.C3H3NS.C2H2N2S/c1-2-4-7-6(3-1)8-5-9-7;9-5-2-1-4-6(8-5)10-3-7-4;1-2-7-3-6-5(1)8-4-9-6;1-2-5-6(7-3-1)8-4-9-5;1-2-5-6(7-3-1)9-4-8-5;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-4-2-5-1/h1-5H;1-3H,(H,8,9);3*1-4H;1-5H;1-4H;1-3H,(H,4,5);1-3H;1-2H
InChIKeyAVNCXVBIDGHLTC-UHFFFAOYSA-N
MW1094.43 g/mol
LogP12.00
Rot. Bonds

About 1,3-benzothiazole;pyrazine;1H-pyrazole;pyridine;1,3,4-thiadiazole;1,3-thiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;4H-[1,3]thiazolo[5,4-b]pyridin-5-one;[1,3]thiazolo[5,4-c]pyridine

1,3-benzothiazole;pyrazine;1H-pyrazole;pyridine;1,3,4-thiadiazole;1,3-thiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;4H-[1,3]thiazolo[5,4-b]pyridin-5-one;[1,3]thiazolo[5,4-c]pyridine (PubChem CID 157243818) has the molecular formula C48H39N17OS7 and a molecular weight of 1094.43 g/mol. Its IUPAC name is 1,3-benzothiazole;pyrazine;1H-pyrazole;pyridine;1,3,4-thiadiazole;1,3-thiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;4H-[1,3]thiazolo[5,4-b]pyridin-5-one;[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name1,3-benzothiazole;pyrazine;1H-pyrazole;pyridine;1,3,4-thiadiazole;1,3-thiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;4H-[1,3]thiazolo[5,4-b]pyridin-5-one;[1,3]thiazolo[5,4-c]pyridine
PubChem CID157243818
Molecular FormulaC48H39N17OS7
Molecular Weight1094.43 g/mol
Exact Mass1093.16
IUPAC Name1,3-benzothiazole;pyrazine;1H-pyrazole;pyridine;1,3,4-thiadiazole;1,3-thiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;4H-[1,3]thiazolo[5,4-b]pyridin-5-one;[1,3]thiazolo[5,4-c]pyridine
SMILESO=c1ccc2ncsc2[nH]1.c1cc2ncsc2cn1.c1ccc2scnc2c1.c1ccncc1.c1cn[nH]c1.c1cnc2ncsc2c1.c1cnc2scnc2c1.c1cnccn1.c1cscn1.c1nncs1
InChIInChI=1S/C7H5NS.C6H4N2OS.3C6H4N2S.C5H5N.C4H4N2.C3H4N2.C3H3NS.C2H2N2S/c1-2-4-7-6(3-1)8-5-9-7;9-5-2-1-4-6(8-5)10-3-7-4;1-2-7-3-6-5(1)8-4-9-6;1-2-5-6(7-3-1)8-4-9-5;1-2-5-6(7-3-1)9-4-8-5;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-4-2-5-1/h1-5H;1-3H,(H,8,9);3*1-4H;1-5H;1-4H;1-3H,(H,4,5);1-3H;1-2H
InChIKeyAVNCXVBIDGHLTC-UHFFFAOYSA-N
XLogP12.00
TPSA242.00 Ų
H-Bond Donors2
H-Bond Acceptors23
Rotatable Bonds
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001094.43
LogP ≤ 512.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1023

Analyze 1,3-benzothiazole;pyrazine;1H-pyrazole;pyridine;1,3,4-thiadiazole;1,3-thiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;4H-[1,3]thiazolo[5,4-b]pyridin-5-one;[1,3]thiazolo[5,4-c]pyridine with MolForge

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Related Compounds

tris(3,5-dimethylpyridin-2-amine);4,5-dimethylpyridin-2-amine;N,5-dimethylpyridin-2-amine;5,6-dimethylpyridin-2-amine;4,5-dimethyl-1,3-thiazol-2-amine;N,5-dimethyl-1,3-thiazol-2-amine;3-fluoro-5-methylpyridin-2-amine;4-fluoro-5-methylpyridin-2-amine;4-fluoro-5-methylpyrimidin-2-amine;5-methylpyrazin-2-amine;6-methylpyridazin-3-amine;2-methylpyridin-3-amine;2-methylpyridin-4-amine;4-methylpyridin-2-amine;5-methylpyridin-2-amine;5-methylpyridin-3-amine;6-methylpyridin-3-amine;N-(5-methyl-2-pyridinyl)acetamide;2-methylpyrimidin-5-amine;5-methylpyrimidin-2-amine;4-methyl-1,3-thiazol-2-amine;5-methyl-1,3-thiazol-2-amine;5-methyl-4-(trifluoromethyl)pyrimidin-2-amine;N,N,5-trimethyl-1,3-thiazol-2-amine
CID 160308173
1-[4-[4-[[5-(1,3-benzothiazol-2-yl)-1H-pyrazolo[4,5-d]pyrimidin-7-yl]amino]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 118380612
3-[[2-ethoxyethyl(ethyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-[[ethyl(2-methylbutan-2-yl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-ethyl-N-[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;3-ethyl-N-(6-methyl-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)-1,2-thiazol-5-amine;6-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
CID 123677597
N-[5-[7-[5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[5,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[5,4-b]pyridin-7-ium-5-yl]-3-pyridinyl]benzamide
CID 137104373
3-[7-(2,3-dihydrothiophen-4-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;ethane;N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 145664868
N-(4-amino-1-phenylpyrazol-3-yl)-5-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide;N-(4-amino-1-phenylpyrazol-3-yl)-5-[[5-methyl-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]thiophene-2-carboxamide
CID 157084370
N-(4-amino-1-phenylpyrazol-3-yl)-5-[(5-imidazo[1,2-a]pyridin-3-yl-4-methyl-1,3-thiazol-2-yl)amino]thiophene-2-carboxamide;N-(4-amino-1-phenylpyrazol-3-yl)-5-[(5-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]thiophene-2-carboxamide
CID 157134974
(4Z)-4-[[7-(cyclopropylamino)-5-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-pyrrol-1-ylpyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one
CID 157190014
2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-3H-imidazo[4,5-c]pyridine;2-propan-2-ylimidazo[1,2-c]pyrimidine;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine
CID 157370607
CID 157437480
CID 157437480
Bis(pyrazolo[1,5-a][1,3,5]triazine);bis(pyrazolo[1,5-b][1,2,4]triazine);bis(pyrazolo[1,5-c]triazine);bis(pyrazolo[5,1-c][1,2,4]triazine);bis(pyrazolo[1,5-d][1,2,4]triazine);bis(pyrazolo[5,1-f][1,2,4]triazine);[1,3]thiazolo[4,5-b]pyrazine;[1,3]thiazolo[4,5-c]pyridazine;[1,3]thiazolo[5,4-c]pyridazine;[1,3]thiazolo[4,5-d]pyridazine;[1,3]thiazolo[4,5-d]pyrimidine;[1,3]thiazolo[5,4-d]pyrimidine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[1,5-a][1,3,5]triazine;[1,2,4]triazolo[1,5-b][1,2,4]triazine;[1,2,4]triazolo[5,1-c][1,2,4]triazine;[1,2,4]triazolo[1,5-d][1,2,4]triazine;[1,2,4]triazolo[5,1-f][1,2,4]triazine
CID 157556317
3-methyl-N-[3-(1H-pyrazol-4-yl)-6-(1,3-thiazol-2-ylsulfanyl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine;2-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylethanol;N-[4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylphenyl]acetamide;N-[4-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylphenyl]cyclopropanecarboxamide;1-[8-[(3-methyl-1,2-thiazol-5-yl)amino]-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]sulfanylpropan-2-ol
CID 157630940

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazole;pyrazine;1H-pyrazole;pyridine;1,3,4-thiadiazole;1,3-thiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;4H-[1,3]thiazolo[5,4-b]pyridin-5-one;[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 1,3-benzothiazole;pyrazine;1H-pyrazole;pyridine;1,3,4-thiadiazole;1,3-thiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;4H-[1,3]thiazolo[5,4-b]pyridin-5-one;[1,3]thiazolo[5,4-c]pyridine (CID 157243818) is 1,3-benzothiazole;pyrazine;1H-pyrazole;pyridine;1,3,4-thiadiazole;1,3-thiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;4H-[1,3]thiazolo[5,4-b]pyridin-5-one;[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 1,3-benzothiazole;pyrazine;1H-pyrazole;pyridine;1,3,4-thiadiazole;1,3-thiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;4H-[1,3]thiazolo[5,4-b]pyridin-5-one;[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 1,3-benzothiazole;pyrazine;1H-pyrazole;pyridine;1,3,4-thiadiazole;1,3-thiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;4H-[1,3]thiazolo[5,4-b]pyridin-5-one;[1,3]thiazolo[5,4-c]pyridine is O=c1ccc2ncsc2[nH]1.c1cc2ncsc2cn1.c1ccc2scnc2c1.c1ccncc1.c1cn[nH]c1.c1cnc2ncsc2c1.c1cnc2scnc2c1.c1cnccn1.c1cscn1.c1nncs1.
What is the InChIKey of 1,3-benzothiazole;pyrazine;1H-pyrazole;pyridine;1,3,4-thiadiazole;1,3-thiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;4H-[1,3]thiazolo[5,4-b]pyridin-5-one;[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is AVNCXVBIDGHLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NS.C6H4N2OS.3C6H4N2S.C5H5N.C4H4N2.C3H4N2.C3H3NS.C2H2N2S/c1-2-4-7-6(3-1)8-5-9-7;9-5-2-1-4-6(8-5)10-3-7-4;1-2-7-3-6-5(1)8-4-9-6;1-2-5-6(7-3-1)8-4-9-5;1-2-5-6(7-3-1)9-4-8-5;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-4-2-5-1/h1-5H;1-3H,(H,8,9);3*1-4H;1-5H;1-4H;1-3H,(H,4,5);1-3H;1-2H.
What are the key properties of 1,3-benzothiazole;pyrazine;1H-pyrazole;pyridine;1,3,4-thiadiazole;1,3-thiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;4H-[1,3]thiazolo[5,4-b]pyridin-5-one;[1,3]thiazolo[5,4-c]pyridine?
1,3-benzothiazole;pyrazine;1H-pyrazole;pyridine;1,3,4-thiadiazole;1,3-thiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;4H-[1,3]thiazolo[5,4-b]pyridin-5-one;[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 1094.43 g/mol, XLogP of 12.00, 0 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazole;pyrazine;1H-pyrazole;pyridine;1,3,4-thiadiazole;1,3-thiazole;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[5,4-b]pyridine;4H-[1,3]thiazolo[5,4-b]pyridin-5-one;[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 157243818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).