4,6-dimethyl-2-propan-2-ylpyrimidine;2-ethyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole

C29H46N6OS2 — CID 159278713

IUPAC4,6-dimethyl-2-propan-2-ylpyrimidine;2-ethyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1nccs1.CCc1nnc(C(C)C)s1.Cc1cc(C(C)C)no1.Cc1cc(C)nc(C(C)C)n1
InChIInChI=1S/C9H14N2.C7H12N2S.C7H11NO.C6H9NS/c1-6(2)9-10-7(3)5-8(4)11-9;1-4-6-8-9-7(10-6)5(2)3;1-5(2)7-4-6(3)9-8-7;1-5(2)6-7-3-4-8-6/h5-6H,1-4H3;5H,4H2,1-3H3;4-5H,1-3H3;3-5H,1-2H3
InChIKeyKYQHVOOEVNGBSW-UHFFFAOYSA-N
MW558.86 g/mol
LogP8.81
Rot. Bonds5

About 4,6-dimethyl-2-propan-2-ylpyrimidine;2-ethyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole

4,6-dimethyl-2-propan-2-ylpyrimidine;2-ethyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole (PubChem CID 159278713) has the molecular formula C29H46N6OS2 and a molecular weight of 558.86 g/mol. Its IUPAC name is 4,6-dimethyl-2-propan-2-ylpyrimidine;2-ethyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4,6-dimethyl-2-propan-2-ylpyrimidine;2-ethyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole
PubChem CID159278713
Molecular FormulaC29H46N6OS2
Molecular Weight558.86 g/mol
Exact Mass558.32
IUPAC Name4,6-dimethyl-2-propan-2-ylpyrimidine;2-ethyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1nccs1.CCc1nnc(C(C)C)s1.Cc1cc(C(C)C)no1.Cc1cc(C)nc(C(C)C)n1
InChIInChI=1S/C9H14N2.C7H12N2S.C7H11NO.C6H9NS/c1-6(2)9-10-7(3)5-8(4)11-9;1-4-6-8-9-7(10-6)5(2)3;1-5(2)7-4-6(3)9-8-7;1-5(2)6-7-3-4-8-6/h5-6H,1-4H3;5H,4H2,1-3H3;4-5H,1-3H3;3-5H,1-2H3
InChIKeyKYQHVOOEVNGBSW-UHFFFAOYSA-N
XLogP8.81
TPSA90.48 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.86
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4,6-dimethyl-2-propan-2-ylpyrimidine;2-ethyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

2-Ethyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole
CID 158633352
Bis(1-methyl-3-propan-2-ylpyrazole);1-methyl-4-propan-2-ylpyrazole;3-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole
CID 159810870
4,6-Dimethyl-2-propan-2-ylpyrimidine;5-ethyl-2-propan-2-yl-1,3-thiazole;methane;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole
CID 160221710
3-Propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole
CID 162094777
1-[(3-ethyl-5-isoxazolyl)methyl]-3-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]piperidine
CID 72927457
3-ethyl-5-[[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2-oxazole
CID 97207611
3-ethyl-5-[[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2-oxazole
CID 97207612
3,5-Dimethyl-4-[4-[1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]-1,2-oxazole
CID 110129440
3,5-dimethyl-4-[4-[(2S)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]-1,2-oxazole
CID 124942382
3,5-dimethyl-4-[4-[(2R)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]-1,2-oxazole
CID 124942383

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-propan-2-ylpyrimidine;2-ethyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole?
The IUPAC name of 4,6-dimethyl-2-propan-2-ylpyrimidine;2-ethyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole (CID 159278713) is 4,6-dimethyl-2-propan-2-ylpyrimidine;2-ethyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 4,6-dimethyl-2-propan-2-ylpyrimidine;2-ethyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 4,6-dimethyl-2-propan-2-ylpyrimidine;2-ethyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole is CC(C)c1nccs1.CCc1nnc(C(C)C)s1.Cc1cc(C(C)C)no1.Cc1cc(C)nc(C(C)C)n1.
What is the InChIKey of 4,6-dimethyl-2-propan-2-ylpyrimidine;2-ethyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole?
The InChIKey is KYQHVOOEVNGBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.C7H12N2S.C7H11NO.C6H9NS/c1-6(2)9-10-7(3)5-8(4)11-9;1-4-6-8-9-7(10-6)5(2)3;1-5(2)7-4-6(3)9-8-7;1-5(2)6-7-3-4-8-6/h5-6H,1-4H3;5H,4H2,1-3H3;4-5H,1-3H3;3-5H,1-2H3.
What are the key properties of 4,6-dimethyl-2-propan-2-ylpyrimidine;2-ethyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole?
4,6-dimethyl-2-propan-2-ylpyrimidine;2-ethyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole has a molecular weight of 558.86 g/mol, XLogP of 8.81, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-propan-2-ylpyrimidine;2-ethyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 159278713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).