5-methyl-7-[(3S)-3-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]imidazo[5,1-b][1,3]thiazole

C17H21N5S — CID 124946402

IUPAC5-methyl-7-[(3S)-3-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]imidazo[5,1-b][1,3]thiazole
SMILESCc1cc(N2CCC[C@](C)(c3nc(C)n4ccsc34)C2)ncn1
InChIInChI=1S/C17H21N5S/c1-12-9-14(19-11-18-12)21-6-4-5-17(3,10-21)15-16-22(7-8-23-16)13(2)20-15/h7-9,11H,4-6,10H2,1-3H3/t17-/m0/s1
InChIKeyBXXDSZSOYHMNNE-KRWDZBQOSA-N
MW327.46 g/mol
LogP3.36
Rot. Bonds2

About 5-methyl-7-[(3S)-3-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]imidazo[5,1-b][1,3]thiazole

5-methyl-7-[(3S)-3-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]imidazo[5,1-b][1,3]thiazole (PubChem CID 124946402) has the molecular formula C17H21N5S and a molecular weight of 327.46 g/mol. Its IUPAC name is 5-methyl-7-[(3S)-3-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]imidazo[5,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-methyl-7-[(3S)-3-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]imidazo[5,1-b][1,3]thiazole
PubChem CID124946402
Molecular FormulaC17H21N5S
Molecular Weight327.46 g/mol
Exact Mass327.15
IUPAC Name5-methyl-7-[(3S)-3-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]imidazo[5,1-b][1,3]thiazole
SMILESCc1cc(N2CCC[C@](C)(c3nc(C)n4ccsc34)C2)ncn1
InChIInChI=1S/C17H21N5S/c1-12-9-14(19-11-18-12)21-6-4-5-17(3,10-21)15-16-22(7-8-23-16)13(2)20-15/h7-9,11H,4-6,10H2,1-3H3/t17-/m0/s1
InChIKeyBXXDSZSOYHMNNE-KRWDZBQOSA-N
XLogP3.36
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.46
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-[(3S)-3-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]imidazo[5,1-b][1,3]thiazole?
The IUPAC name of 5-methyl-7-[(3S)-3-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]imidazo[5,1-b][1,3]thiazole (CID 124946402) is 5-methyl-7-[(3S)-3-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]imidazo[5,1-b][1,3]thiazole.
What is the SMILES notation for 5-methyl-7-[(3S)-3-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]imidazo[5,1-b][1,3]thiazole?
The canonical SMILES for 5-methyl-7-[(3S)-3-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]imidazo[5,1-b][1,3]thiazole is Cc1cc(N2CCC[C@](C)(c3nc(C)n4ccsc34)C2)ncn1.
What is the InChIKey of 5-methyl-7-[(3S)-3-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]imidazo[5,1-b][1,3]thiazole?
The InChIKey is BXXDSZSOYHMNNE-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21N5S/c1-12-9-14(19-11-18-12)21-6-4-5-17(3,10-21)15-16-22(7-8-23-16)13(2)20-15/h7-9,11H,4-6,10H2,1-3H3/t17-/m0/s1.
What are the key properties of 5-methyl-7-[(3S)-3-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]imidazo[5,1-b][1,3]thiazole?
5-methyl-7-[(3S)-3-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]imidazo[5,1-b][1,3]thiazole has a molecular weight of 327.46 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-[(3S)-3-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]imidazo[5,1-b][1,3]thiazole is sourced from PubChem (CID 124946402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).