2-methyl-4H-imidazole;2-methyl-1,3-oxazole;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole

C23H29N7OS — CID 158604194

IUPAC2-methyl-4H-imidazole;2-methyl-1,3-oxazole;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole
SMILESCC1=NCC=N1.Cc1ccccn1.Cc1ncccn1.Cc1ncco1.Cc1nccs1
InChIInChI=1S/C6H7N.C5H6N2.C4H6N2.C4H5NO.C4H5NS/c1-6-4-2-3-5-7-6;1-5-6-3-2-4-7-5;3*1-4-5-2-3-6-4/h2-5H,1H3;2-4H,1H3;2H,3H2,1H3;2*2-3H,1H3
InChIKeyHVZYUWDAFLMHGV-UHFFFAOYSA-N
MW451.60 g/mol
LogP5.10
Rot. Bonds

About 2-methyl-4H-imidazole;2-methyl-1,3-oxazole;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole

2-methyl-4H-imidazole;2-methyl-1,3-oxazole;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole (PubChem CID 158604194) has the molecular formula C23H29N7OS and a molecular weight of 451.60 g/mol. Its IUPAC name is 2-methyl-4H-imidazole;2-methyl-1,3-oxazole;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4H-imidazole;2-methyl-1,3-oxazole;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole
PubChem CID158604194
Molecular FormulaC23H29N7OS
Molecular Weight451.60 g/mol
Exact Mass451.22
IUPAC Name2-methyl-4H-imidazole;2-methyl-1,3-oxazole;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole
SMILESCC1=NCC=N1.Cc1ccccn1.Cc1ncccn1.Cc1ncco1.Cc1nccs1
InChIInChI=1S/C6H7N.C5H6N2.C4H6N2.C4H5NO.C4H5NS/c1-6-4-2-3-5-7-6;1-5-6-3-2-4-7-5;3*1-4-5-2-3-6-4/h2-5H,1H3;2-4H,1H3;2H,3H2,1H3;2*2-3H,1H3
InChIKeyHVZYUWDAFLMHGV-UHFFFAOYSA-N
XLogP5.10
TPSA102.31 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.60
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-methyl-4H-imidazole;2-methyl-1,3-oxazole;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

2-(1,3-Oxazol-2-yl)-6-(pyrazin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 45274516
2-(1,3-Oxazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 45274517
2-(1,3-Oxazol-2-yl)-6-(2-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 45274518
2-(1,3-Oxazol-2-yl)-6-(1-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 45274620
2-(1,3-Oxazol-2-yl)-6-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 68587536
2-(1,3-Oxazol-2-yl)-6-(1-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 68587578
2-(1,3-Oxazol-2-yl)-6-(3-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 68607740
2-(1,3-Oxazol-2-yl)-6-(1-pyridin-2-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 68608634
2-(1,3-Oxazol-2-yl)-6-(2-pyridin-2-ylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 68608636
N-[2-(1,3-oxazol-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide
CID 69280633
1-[2-(5-Ethyl-oxazol-2-yl)-ethyl]-3-[4-methyl-5-(2-morpholin-4-yl-pyrimidin-4-yl)-thiazol-2-yl]-urea
CID 86610337
2-[(2-Pyridin-2-ylpyrimidin-5-yl)oxymethyl]-1,3-thiazole
CID 142517392

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4H-imidazole;2-methyl-1,3-oxazole;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole?
The IUPAC name of 2-methyl-4H-imidazole;2-methyl-1,3-oxazole;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole (CID 158604194) is 2-methyl-4H-imidazole;2-methyl-1,3-oxazole;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole.
What is the SMILES notation for 2-methyl-4H-imidazole;2-methyl-1,3-oxazole;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole?
The canonical SMILES for 2-methyl-4H-imidazole;2-methyl-1,3-oxazole;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole is CC1=NCC=N1.Cc1ccccn1.Cc1ncccn1.Cc1ncco1.Cc1nccs1.
What is the InChIKey of 2-methyl-4H-imidazole;2-methyl-1,3-oxazole;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole?
The InChIKey is HVZYUWDAFLMHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C5H6N2.C4H6N2.C4H5NO.C4H5NS/c1-6-4-2-3-5-7-6;1-5-6-3-2-4-7-5;3*1-4-5-2-3-6-4/h2-5H,1H3;2-4H,1H3;2H,3H2,1H3;2*2-3H,1H3.
What are the key properties of 2-methyl-4H-imidazole;2-methyl-1,3-oxazole;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole?
2-methyl-4H-imidazole;2-methyl-1,3-oxazole;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole has a molecular weight of 451.60 g/mol, XLogP of 5.10, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4H-imidazole;2-methyl-1,3-oxazole;2-methylpyridine;2-methylpyrimidine;2-methyl-1,3-thiazole is sourced from PubChem (CID 158604194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).