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

C17H20N6S — CID 124945248

IUPAC4-[[(3S)-3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCc1nc(-c2ncc(C)[nH]2)cc([C@H]2CCN(Cc3cscn3)C2)n1
InChIInChI=1S/C17H20N6S/c1-11-6-18-17(20-11)16-5-15(21-12(2)22-16)13-3-4-23(7-13)8-14-9-24-10-19-14/h5-6,9-10,13H,3-4,7-8H2,1-2H3,(H,18,20)/t13-/m0/s1
InChIKeyBPMSHRCNXKTQNH-ZDUSSCGKSA-N
MW340.46 g/mol
LogP2.93
Rot. Bonds4

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

4-[[(3S)-3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole (PubChem CID 124945248) has the molecular formula C17H20N6S and a molecular weight of 340.46 g/mol. Its IUPAC name is 4-[[(3S)-3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[(3S)-3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole
PubChem CID124945248
Molecular FormulaC17H20N6S
Molecular Weight340.46 g/mol
Exact Mass340.15
IUPAC Name4-[[(3S)-3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCc1nc(-c2ncc(C)[nH]2)cc([C@H]2CCN(Cc3cscn3)C2)n1
InChIInChI=1S/C17H20N6S/c1-11-6-18-17(20-11)16-5-15(21-12(2)22-16)13-3-4-23(7-13)8-14-9-24-10-19-14/h5-6,9-10,13H,3-4,7-8H2,1-2H3,(H,18,20)/t13-/m0/s1
InChIKeyBPMSHRCNXKTQNH-ZDUSSCGKSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 110099460
4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidine
CID 110109889
[(3R)-3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-phenylmethanone
CID 125012241
4-[[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 136541469
4-[[(2R)-2-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 125005088
5-[[4-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 110099660
2-(4-fluorophenyl)-1-[3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110110349
[3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-quinolin-3-ylmethanone
CID 110110902
2-methyl-4-(5-methyl-1H-imidazol-2-yl)-6-[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]pyrimidine
CID 125012503
4-[[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 97319043
4-[[4-[6-(1-methylimidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 110099949
2-methyl-4-(5-methyl-1H-imidazol-2-yl)-6-(1-methylsulfonylpiperidin-2-yl)pyrimidine
CID 110099539

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[(3S)-3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole (CID 124945248) is 4-[[(3S)-3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[(3S)-3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[(3S)-3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole is Cc1nc(-c2ncc(C)[nH]2)cc([C@H]2CCN(Cc3cscn3)C2)n1.
What is the InChIKey of 4-[[(3S)-3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is BPMSHRCNXKTQNH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N6S/c1-11-6-18-17(20-11)16-5-15(21-12(2)22-16)13-3-4-23(7-13)8-14-9-24-10-19-14/h5-6,9-10,13H,3-4,7-8H2,1-2H3,(H,18,20)/t13-/m0/s1.
What are the key properties of 4-[[(3S)-3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole?
4-[[(3S)-3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 340.46 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 124945248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).