5-methyl-7-[(3S)-3-methyl-1-(2-methylpropyl)piperidin-3-yl]imidazo[5,1-b][1,3]thiazole

C16H25N3S — CID 125000799

IUPAC5-methyl-7-[(3S)-3-methyl-1-(2-methylpropyl)piperidin-3-yl]imidazo[5,1-b][1,3]thiazole
SMILESCc1nc([C@@]2(C)CCCN(CC(C)C)C2)c2sccn12
InChIInChI=1S/C16H25N3S/c1-12(2)10-18-7-5-6-16(4,11-18)14-15-19(8-9-20-15)13(3)17-14/h8-9,12H,5-7,10-11H2,1-4H3/t16-/m0/s1
InChIKeyRYKNEYGQKJDPMA-INIZCTEOSA-N
MW291.46 g/mol
LogP3.71
Rot. Bonds3

About 5-methyl-7-[(3S)-3-methyl-1-(2-methylpropyl)piperidin-3-yl]imidazo[5,1-b][1,3]thiazole

5-methyl-7-[(3S)-3-methyl-1-(2-methylpropyl)piperidin-3-yl]imidazo[5,1-b][1,3]thiazole (PubChem CID 125000799) has the molecular formula C16H25N3S and a molecular weight of 291.46 g/mol. Its IUPAC name is 5-methyl-7-[(3S)-3-methyl-1-(2-methylpropyl)piperidin-3-yl]imidazo[5,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-methyl-7-[(3S)-3-methyl-1-(2-methylpropyl)piperidin-3-yl]imidazo[5,1-b][1,3]thiazole
PubChem CID125000799
Molecular FormulaC16H25N3S
Molecular Weight291.46 g/mol
Exact Mass291.18
IUPAC Name5-methyl-7-[(3S)-3-methyl-1-(2-methylpropyl)piperidin-3-yl]imidazo[5,1-b][1,3]thiazole
SMILESCc1nc([C@@]2(C)CCCN(CC(C)C)C2)c2sccn12
InChIInChI=1S/C16H25N3S/c1-12(2)10-18-7-5-6-16(4,11-18)14-15-19(8-9-20-15)13(3)17-14/h8-9,12H,5-7,10-11H2,1-4H3/t16-/m0/s1
InChIKeyRYKNEYGQKJDPMA-INIZCTEOSA-N
XLogP3.71
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-[(3S)-3-methyl-1-(2-methylpropyl)piperidin-3-yl]imidazo[5,1-b][1,3]thiazole?
The IUPAC name of 5-methyl-7-[(3S)-3-methyl-1-(2-methylpropyl)piperidin-3-yl]imidazo[5,1-b][1,3]thiazole (CID 125000799) is 5-methyl-7-[(3S)-3-methyl-1-(2-methylpropyl)piperidin-3-yl]imidazo[5,1-b][1,3]thiazole.
What is the SMILES notation for 5-methyl-7-[(3S)-3-methyl-1-(2-methylpropyl)piperidin-3-yl]imidazo[5,1-b][1,3]thiazole?
The canonical SMILES for 5-methyl-7-[(3S)-3-methyl-1-(2-methylpropyl)piperidin-3-yl]imidazo[5,1-b][1,3]thiazole is Cc1nc([C@@]2(C)CCCN(CC(C)C)C2)c2sccn12.
What is the InChIKey of 5-methyl-7-[(3S)-3-methyl-1-(2-methylpropyl)piperidin-3-yl]imidazo[5,1-b][1,3]thiazole?
The InChIKey is RYKNEYGQKJDPMA-INIZCTEOSA-N. The full InChI is InChI=1S/C16H25N3S/c1-12(2)10-18-7-5-6-16(4,11-18)14-15-19(8-9-20-15)13(3)17-14/h8-9,12H,5-7,10-11H2,1-4H3/t16-/m0/s1.
What are the key properties of 5-methyl-7-[(3S)-3-methyl-1-(2-methylpropyl)piperidin-3-yl]imidazo[5,1-b][1,3]thiazole?
5-methyl-7-[(3S)-3-methyl-1-(2-methylpropyl)piperidin-3-yl]imidazo[5,1-b][1,3]thiazole has a molecular weight of 291.46 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-[(3S)-3-methyl-1-(2-methylpropyl)piperidin-3-yl]imidazo[5,1-b][1,3]thiazole is sourced from PubChem (CID 125000799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).