5-[[2-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methyl]-4-methyl-1,3-thiazole

C17H20N6S — CID 155900823

IUPAC5-[[2-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methyl]-4-methyl-1,3-thiazole
SMILESCc1cc(-c2ncc[nH]2)nc(C2CCCN2Cc2scnc2C)n1
InChIInChI=1S/C17H20N6S/c1-11-8-13(16-18-5-6-19-16)22-17(21-11)14-4-3-7-23(14)9-15-12(2)20-10-24-15/h5-6,8,10,14H,3-4,7,9H2,1-2H3,(H,18,19)
InChIKeyXXBNXFJZXFMOBS-UHFFFAOYSA-N
MW340.46 g/mol
LogP3.28
Rot. Bonds4

About 5-[[2-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methyl]-4-methyl-1,3-thiazole

5-[[2-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methyl]-4-methyl-1,3-thiazole (PubChem CID 155900823) has the molecular formula C17H20N6S and a molecular weight of 340.46 g/mol. Its IUPAC name is 5-[[2-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[[2-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methyl]-4-methyl-1,3-thiazole
PubChem CID155900823
Molecular FormulaC17H20N6S
Molecular Weight340.46 g/mol
Exact Mass340.15
IUPAC Name5-[[2-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methyl]-4-methyl-1,3-thiazole
SMILESCc1cc(-c2ncc[nH]2)nc(C2CCCN2Cc2scnc2C)n1
InChIInChI=1S/C17H20N6S/c1-11-8-13(16-18-5-6-19-16)22-17(21-11)14-4-3-7-23(14)9-15-12(2)20-10-24-15/h5-6,8,10,14H,3-4,7,9H2,1-2H3,(H,18,19)
InChIKeyXXBNXFJZXFMOBS-UHFFFAOYSA-N
XLogP3.28
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-{[5-(1H-imidazol-2-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]methyl}-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 56887554
2-{1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine dihydrochloride
CID 70710123
N-methyl-N-[(2-methyl-1H-imidazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 50948080
5'-methyl-1-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1H,3'H-2,4'-biimidazole
CID 70723298
2-{1-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 70785769
N-{[2-(1-pyrrolidinyl)-1,3-thiazol-4-yl]methyl}-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 138386644
2-[4-[(2S)-2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]pyrimidin-2-yl]-1,3-thiazole
CID 164634370
(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]propan-2-amine
CID 164636230
5'-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H,3'H-2,4'-biimidazole
CID 56868424
2'-ethyl-5'-methyl-1-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1H,3'H-2,4'-biimidazole
CID 56874194
5-{1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-imidazol-2-yl}-2-(propylthio)pyrimidine
CID 56880550
4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 110099475

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[[2-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methyl]-4-methyl-1,3-thiazole (CID 155900823) is 5-[[2-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[[2-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[[2-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methyl]-4-methyl-1,3-thiazole is Cc1cc(-c2ncc[nH]2)nc(C2CCCN2Cc2scnc2C)n1.
What is the InChIKey of 5-[[2-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methyl]-4-methyl-1,3-thiazole?
The InChIKey is XXBNXFJZXFMOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6S/c1-11-8-13(16-18-5-6-19-16)22-17(21-11)14-4-3-7-23(14)9-15-12(2)20-10-24-15/h5-6,8,10,14H,3-4,7,9H2,1-2H3,(H,18,19).
What are the key properties of 5-[[2-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methyl]-4-methyl-1,3-thiazole?
5-[[2-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methyl]-4-methyl-1,3-thiazole has a molecular weight of 340.46 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 155900823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).