3-propan-2-ylpyridazine;3-propan-2-ylpyridine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole

C33H53N7S2 — CID 158269711

IUPAC3-propan-2-ylpyridazine;3-propan-2-ylpyridine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole
SMILESCC(C)C1CCNC1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1cncs1.CC(C)c1nncs1
InChIInChI=1S/C8H11N.C7H10N2.C7H15N.C6H9NS.C5H8N2S/c1-7(2)8-4-3-5-9-6-8;1-6(2)7-4-3-5-8-9-7;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-4-8-6;1-4(2)5-7-6-3-8-5/h3-7H,1-2H3;3-6H,1-2H3;6-8H,3-5H2,1-2H3;3-5H,1-2H3;3-4H,1-2H3
InChIKeyGIWMEJBGXSFDSY-UHFFFAOYSA-N
MW611.97 g/mol
LogP8.98
Rot. Bonds5

About 3-propan-2-ylpyridazine;3-propan-2-ylpyridine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole

3-propan-2-ylpyridazine;3-propan-2-ylpyridine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole (PubChem CID 158269711) has the molecular formula C33H53N7S2 and a molecular weight of 611.97 g/mol. Its IUPAC name is 3-propan-2-ylpyridazine;3-propan-2-ylpyridine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name3-propan-2-ylpyridazine;3-propan-2-ylpyridine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole
PubChem CID158269711
Molecular FormulaC33H53N7S2
Molecular Weight611.97 g/mol
Exact Mass611.38
IUPAC Name3-propan-2-ylpyridazine;3-propan-2-ylpyridine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole
SMILESCC(C)C1CCNC1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1cncs1.CC(C)c1nncs1
InChIInChI=1S/C8H11N.C7H10N2.C7H15N.C6H9NS.C5H8N2S/c1-7(2)8-4-3-5-9-6-8;1-6(2)7-4-3-5-8-9-7;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-4-8-6;1-4(2)5-7-6-3-8-5/h3-7H,1-2H3;3-6H,1-2H3;6-8H,3-5H2,1-2H3;3-5H,1-2H3;3-4H,1-2H3
InChIKeyGIWMEJBGXSFDSY-UHFFFAOYSA-N
XLogP8.98
TPSA89.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.97
LogP ≤ 58.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-propan-2-ylpyridazine;3-propan-2-ylpyridine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 49465975
2-[4-[4-(1-Decyltriazol-4-yl)phenyl]-6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,3-thiazole
CID 162675524
3-methyl-4-({3-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazol-1-yl}methyl)pyridine
CID 29258917
N-[1-(3,5-difluoro-4-pyridinyl)propa-1,2-dienyl]-2-[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]-1,3-thiazol-5-amine
CID 88581191
4-Methyl-2-phenyl-5-(6-((pyridin-2-ylmethyl)thio)pyridazin-3-yl)thiazole
CID 20900540
4-methyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine
CID 126465236
5-(6,6-Dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole
CID 21928689
5-(6,6-Dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole
CID 21929378
4-Methyl-2-pyridin-3-yl-5-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-1,3-thiazole
CID 58416132
N-[[5-methyl-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-1,3-thiazol-2-yl]methyl]-1-phenylethane-1,2-diamine
CID 90964953
2-[1-(4-Methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazol-3-yl]-5-propan-2-yl-1,3,4-thiadiazole
CID 117693313
5-[1-(4-propan-2-yl-2-pyridinyl)propan-2-yl]-2-[2-(1H-pyrazol-4-yl)propyl]-1,3-thiazole
CID 126510386

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylpyridazine;3-propan-2-ylpyridine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole?
The IUPAC name of 3-propan-2-ylpyridazine;3-propan-2-ylpyridine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole (CID 158269711) is 3-propan-2-ylpyridazine;3-propan-2-ylpyridine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 3-propan-2-ylpyridazine;3-propan-2-ylpyridine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole?
The canonical SMILES for 3-propan-2-ylpyridazine;3-propan-2-ylpyridine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole is CC(C)C1CCNC1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1cncs1.CC(C)c1nncs1.
What is the InChIKey of 3-propan-2-ylpyridazine;3-propan-2-ylpyridine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole?
The InChIKey is GIWMEJBGXSFDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C7H10N2.C7H15N.C6H9NS.C5H8N2S/c1-7(2)8-4-3-5-9-6-8;1-6(2)7-4-3-5-8-9-7;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-4-8-6;1-4(2)5-7-6-3-8-5/h3-7H,1-2H3;3-6H,1-2H3;6-8H,3-5H2,1-2H3;3-5H,1-2H3;3-4H,1-2H3.
What are the key properties of 3-propan-2-ylpyridazine;3-propan-2-ylpyridine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole?
3-propan-2-ylpyridazine;3-propan-2-ylpyridine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole has a molecular weight of 611.97 g/mol, XLogP of 8.98, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylpyridazine;3-propan-2-ylpyridine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 158269711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).