2-ethyl-4-methyl-5-[[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]-1,3-thiazole

C18H22N6S — CID 70733256

IUPAC2-ethyl-4-methyl-5-[[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]-1,3-thiazole
SMILESCCc1nc(C)c(Cn2ccnc2-c2cnc(N3CCCC3)nc2)s1
InChIInChI=1S/C18H22N6S/c1-3-16-22-13(2)15(25-16)12-24-9-6-19-17(24)14-10-20-18(21-11-14)23-7-4-5-8-23/h6,9-11H,3-5,7-8,12H2,1-2H3
InChIKeyUEYICDKAUXYIKG-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.32
Rot. Bonds5

About 2-ethyl-4-methyl-5-[[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]-1,3-thiazole

2-ethyl-4-methyl-5-[[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]-1,3-thiazole (PubChem CID 70733256) has the molecular formula C18H22N6S and a molecular weight of 354.48 g/mol. Its IUPAC name is 2-ethyl-4-methyl-5-[[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-ethyl-4-methyl-5-[[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]-1,3-thiazole
PubChem CID70733256
Molecular FormulaC18H22N6S
Molecular Weight354.48 g/mol
Exact Mass354.16
IUPAC Name2-ethyl-4-methyl-5-[[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]-1,3-thiazole
SMILESCCc1nc(C)c(Cn2ccnc2-c2cnc(N3CCCC3)nc2)s1
InChIInChI=1S/C18H22N6S/c1-3-16-22-13(2)15(25-16)12-24-9-6-19-17(24)14-10-20-18(21-11-14)23-7-4-5-8-23/h6,9-11H,3-5,7-8,12H2,1-2H3
InChIKeyUEYICDKAUXYIKG-UHFFFAOYSA-N
XLogP3.32
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-ethyl-4-methyl-5-[[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

ethane;5-methyl-2-pyrrolidin-1-ylpyrimidine;propane
CID 170581673
5-[[2-(2-piperidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]pyrrolidin-2-one
CID 169421141
ethane;2-ethyl-4-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole;formamide
CID 170575145
5-[[2-(1H-imidazol-2-yl)imidazol-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
CID 155909523
propane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine
CID 170581879
1-[(1-benzylimidazol-2-yl)methyl]-3-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-methylurea
CID 122564864
4-ethyl-2-methyl-6-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
CID 154882608
2-piperidin-1-yl-5-propylpyrimidine
CID 123831355
ethane;5-methoxy-3-piperidin-1-yl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]pyrazine;propane
CID 142892190
ethane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine
CID 170578345
[2-(azepan-1-yl)-4-methylpyrimidin-5-yl]methanamine
CID 83186430
5-bromo-4-methyl-2-piperidin-1-ylpyrimidine
CID 82373594

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-5-[[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-ethyl-4-methyl-5-[[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]-1,3-thiazole (CID 70733256) is 2-ethyl-4-methyl-5-[[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-ethyl-4-methyl-5-[[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-ethyl-4-methyl-5-[[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]-1,3-thiazole is CCc1nc(C)c(Cn2ccnc2-c2cnc(N3CCCC3)nc2)s1.
What is the InChIKey of 2-ethyl-4-methyl-5-[[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]-1,3-thiazole?
The InChIKey is UEYICDKAUXYIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6S/c1-3-16-22-13(2)15(25-16)12-24-9-6-19-17(24)14-10-20-18(21-11-14)23-7-4-5-8-23/h6,9-11H,3-5,7-8,12H2,1-2H3.
What are the key properties of 2-ethyl-4-methyl-5-[[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]-1,3-thiazole?
2-ethyl-4-methyl-5-[[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]-1,3-thiazole has a molecular weight of 354.48 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-5-[[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazol-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 70733256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).