2,5-dimethylpyrazine;1,3-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;ethane;methane;5-methyl-3-propan-2-yl-1,2,4-thiadiazole

C51H92N10S3 — CID 157168648

IUPAC2,5-dimethylpyrazine;1,3-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;ethane;methane;5-methyl-3-propan-2-yl-1,2,4-thiadiazole
SMILESC.C.C.C.CC.CC.CC.Cc1ccc(C)nc1.Cc1ccn(C)n1.Cc1ccnc(C)c1.Cc1cnc(C)cn1.Cc1cnc(C)s1.Cc1csc(C)n1.Cc1nc(C(C)C)ns1
InChIInChI=1S/2C7H9N.C6H10N2S.C6H8N2.C5H8N2.2C5H7NS.3C2H6.4CH4/c1-6-3-4-8-7(2)5-6;1-6-3-4-7(2)8-5-6;1-4(2)6-7-5(3)9-8-6;1-5-3-8-6(2)4-7-5;1-5-3-4-7(2)6-5;1-4-3-7-5(2)6-4;1-4-3-6-5(2)7-4;3*1-2;;;;/h2*3-5H,1-2H3;4H,1-3H3;3-4H,1-2H3;3-4H,1-2H3;2*3H,1-2H3;3*1-2H3;4*1H4
InChIKeyANEYGTMICOICCM-UHFFFAOYSA-N
MW941.57 g/mol
LogP16.33
Rot. Bonds1

About 2,5-dimethylpyrazine;1,3-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;ethane;methane;5-methyl-3-propan-2-yl-1,2,4-thiadiazole

2,5-dimethylpyrazine;1,3-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;ethane;methane;5-methyl-3-propan-2-yl-1,2,4-thiadiazole (PubChem CID 157168648) has the molecular formula C51H92N10S3 and a molecular weight of 941.57 g/mol. Its IUPAC name is 2,5-dimethylpyrazine;1,3-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;ethane;methane;5-methyl-3-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name2,5-dimethylpyrazine;1,3-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;ethane;methane;5-methyl-3-propan-2-yl-1,2,4-thiadiazole
PubChem CID157168648
Molecular FormulaC51H92N10S3
Molecular Weight941.57 g/mol
Exact Mass940.67
IUPAC Name2,5-dimethylpyrazine;1,3-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;ethane;methane;5-methyl-3-propan-2-yl-1,2,4-thiadiazole
SMILESC.C.C.C.CC.CC.CC.Cc1ccc(C)nc1.Cc1ccn(C)n1.Cc1ccnc(C)c1.Cc1cnc(C)cn1.Cc1cnc(C)s1.Cc1csc(C)n1.Cc1nc(C(C)C)ns1
InChIInChI=1S/2C7H9N.C6H10N2S.C6H8N2.C5H8N2.2C5H7NS.3C2H6.4CH4/c1-6-3-4-8-7(2)5-6;1-6-3-4-7(2)8-5-6;1-4(2)6-7-5(3)9-8-6;1-5-3-8-6(2)4-7-5;1-5-3-4-7(2)6-5;1-4-3-7-5(2)6-4;1-4-3-6-5(2)7-4;3*1-2;;;;/h2*3-5H,1-2H3;4H,1-3H3;3-4H,1-2H3;3-4H,1-2H3;2*3H,1-2H3;3*1-2H3;4*1H4
InChIKeyANEYGTMICOICCM-UHFFFAOYSA-N
XLogP16.33
TPSA120.94 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds1
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500941.57
LogP ≤ 516.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2,5-dimethylpyrazine;1,3-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;ethane;methane;5-methyl-3-propan-2-yl-1,2,4-thiadiazole with MolForge

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Related Compounds

3-[[5-(1-Methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine
CID 53262678
2-[[5-(1-Methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine
CID 54759346
N,N,6-trimethyl-5-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pyridin-2-amine
CID 44589329
2-[7-[[2-(3-Fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1,3-thiazole
CID 11293063
2-methyl-4-[(1S)-1-[2-(3-pyrazol-1-ylphenyl)imidazol-1-yl]ethyl]-1,3-thiazole
CID 95558083
Pyridazine,4-ethyl-3-[[2-(6-fluoro-2-pyridinyl)-1h-imidazol-1-yl]methyl]-6-(2-thiazolyl)-
CID 9998981
Pyridazine,4-ethyl-3-[[2-(3-fluoro-2-pyridinyl)-1h-imidazol-1-yl]methyl]-6-(2-thiazolyl)-
CID 10428980
3-[2-(6-Fluoro-pyridin-2-yl)-imidazol-1-ylmethyl]-4-propyl-6-thiazol-2-yl-pyridazine
CID 10429863
N-butyl-N-methyl-5-[(6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)methyl]thiophen-2-amine;N,N-diethyl-6-methyl-5-[[3-(1,3-thiazol-2-yl)-6-(trifluoromethyl)pyrazolo[5,1-c][1,2,4]triazol-7-ylidene]methyl]pyridin-2-amine
CID 53823075
4-Methyl-2-pyridin-3-yl-5-[1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazol-3-yl]-1,3-thiazole
CID 58416209
2-[7-[[2-(3-Fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1,3-thiazole
CID 59646808
1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(1-methyl-5-phenylimidazol-2-yl)methyl]-N-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]ethanamine
CID 86288250

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylpyrazine;1,3-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;ethane;methane;5-methyl-3-propan-2-yl-1,2,4-thiadiazole?
The IUPAC name of 2,5-dimethylpyrazine;1,3-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;ethane;methane;5-methyl-3-propan-2-yl-1,2,4-thiadiazole (CID 157168648) is 2,5-dimethylpyrazine;1,3-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;ethane;methane;5-methyl-3-propan-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 2,5-dimethylpyrazine;1,3-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;ethane;methane;5-methyl-3-propan-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 2,5-dimethylpyrazine;1,3-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;ethane;methane;5-methyl-3-propan-2-yl-1,2,4-thiadiazole is C.C.C.C.CC.CC.CC.Cc1ccc(C)nc1.Cc1ccn(C)n1.Cc1ccnc(C)c1.Cc1cnc(C)cn1.Cc1cnc(C)s1.Cc1csc(C)n1.Cc1nc(C(C)C)ns1.
What is the InChIKey of 2,5-dimethylpyrazine;1,3-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;ethane;methane;5-methyl-3-propan-2-yl-1,2,4-thiadiazole?
The InChIKey is ANEYGTMICOICCM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H9N.C6H10N2S.C6H8N2.C5H8N2.2C5H7NS.3C2H6.4CH4/c1-6-3-4-8-7(2)5-6;1-6-3-4-7(2)8-5-6;1-4(2)6-7-5(3)9-8-6;1-5-3-8-6(2)4-7-5;1-5-3-4-7(2)6-5;1-4-3-7-5(2)6-4;1-4-3-6-5(2)7-4;3*1-2;;;;/h2*3-5H,1-2H3;4H,1-3H3;3-4H,1-2H3;3-4H,1-2H3;2*3H,1-2H3;3*1-2H3;4*1H4.
What are the key properties of 2,5-dimethylpyrazine;1,3-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;ethane;methane;5-methyl-3-propan-2-yl-1,2,4-thiadiazole?
2,5-dimethylpyrazine;1,3-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;ethane;methane;5-methyl-3-propan-2-yl-1,2,4-thiadiazole has a molecular weight of 941.57 g/mol, XLogP of 16.33, 1 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylpyrazine;1,3-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;ethane;methane;5-methyl-3-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 157168648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).