2-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]acetamide

C15H22N4OS — CID 95828012

IUPAC2-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]acetamide
SMILESCc1sc2c([C@@H]3CCCN(CC(N)=O)C3)nc(C)n2c1C
InChIInChI=1S/C15H22N4OS/c1-9-10(2)21-15-14(17-11(3)19(9)15)12-5-4-6-18(7-12)8-13(16)20/h12H,4-8H2,1-3H3,(H2,16,20)/t12-/m1/s1
InChIKeySKLILZXZGYSVCE-GFCCVEGCSA-N
MW306.44 g/mol
LogP1.99
Rot. Bonds3

About 2-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]acetamide

2-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]acetamide (PubChem CID 95828012) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 2-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]acetamide
PubChem CID95828012
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name2-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]acetamide
SMILESCc1sc2c([C@@H]3CCCN(CC(N)=O)C3)nc(C)n2c1C
InChIInChI=1S/C15H22N4OS/c1-9-10(2)21-15-14(17-11(3)19(9)15)12-5-4-6-18(7-12)8-13(16)20/h12H,4-8H2,1-3H3,(H2,16,20)/t12-/m1/s1
InChIKeySKLILZXZGYSVCE-GFCCVEGCSA-N
XLogP1.99
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]acetamide?
The IUPAC name of 2-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]acetamide (CID 95828012) is 2-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]acetamide?
The canonical SMILES for 2-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]acetamide is Cc1sc2c([C@@H]3CCCN(CC(N)=O)C3)nc(C)n2c1C.
What is the InChIKey of 2-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]acetamide?
The InChIKey is SKLILZXZGYSVCE-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-9-10(2)21-15-14(17-11(3)19(9)15)12-5-4-6-18(7-12)8-13(16)20/h12H,4-8H2,1-3H3,(H2,16,20)/t12-/m1/s1.
What are the key properties of 2-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]acetamide?
2-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]acetamide has a molecular weight of 306.44 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 95828012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).