3-[1-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)propan-2-yl-methylamino]propanoic acid

C14H21N3O2S — CID 84751624

IUPAC3-[1-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)propan-2-yl-methylamino]propanoic acid
SMILESCc1nc2scc(C)n2c1CC(C)N(C)CCC(=O)O
InChIInChI=1S/C14H21N3O2S/c1-9(16(4)6-5-13(18)19)7-12-11(3)15-14-17(12)10(2)8-20-14/h8-9H,5-7H2,1-4H3,(H,18,19)
InChIKeyBNBTZUQCSCUTOA-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.35
Rot. Bonds6

About 3-[1-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)propan-2-yl-methylamino]propanoic acid

3-[1-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)propan-2-yl-methylamino]propanoic acid (PubChem CID 84751624) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 3-[1-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)propan-2-yl-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[1-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)propan-2-yl-methylamino]propanoic acid
PubChem CID84751624
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name3-[1-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)propan-2-yl-methylamino]propanoic acid
SMILESCc1nc2scc(C)n2c1CC(C)N(C)CCC(=O)O
InChIInChI=1S/C14H21N3O2S/c1-9(16(4)6-5-13(18)19)7-12-11(3)15-14-17(12)10(2)8-20-14/h8-9H,5-7H2,1-4H3,(H,18,19)
InChIKeyBNBTZUQCSCUTOA-UHFFFAOYSA-N
XLogP2.35
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)propan-2-yl-methylamino]propanoic acid?
The IUPAC name of 3-[1-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)propan-2-yl-methylamino]propanoic acid (CID 84751624) is 3-[1-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)propan-2-yl-methylamino]propanoic acid.
What is the SMILES notation for 3-[1-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)propan-2-yl-methylamino]propanoic acid?
The canonical SMILES for 3-[1-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)propan-2-yl-methylamino]propanoic acid is Cc1nc2scc(C)n2c1CC(C)N(C)CCC(=O)O.
What is the InChIKey of 3-[1-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)propan-2-yl-methylamino]propanoic acid?
The InChIKey is BNBTZUQCSCUTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-9(16(4)6-5-13(18)19)7-12-11(3)15-14-17(12)10(2)8-20-14/h8-9H,5-7H2,1-4H3,(H,18,19).
What are the key properties of 3-[1-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)propan-2-yl-methylamino]propanoic acid?
3-[1-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)propan-2-yl-methylamino]propanoic acid has a molecular weight of 295.41 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)propan-2-yl-methylamino]propanoic acid is sourced from PubChem (CID 84751624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).