2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl-cyclopropylamino]propanoic acid

C18H18ClN3O2S — CID 122100367

IUPAC2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl-cyclopropylamino]propanoic acid
SMILESCC(C(=O)O)N(Cc1c(-c2ccc(Cl)cc2)nc2sccn12)C1CC1
InChIInChI=1S/C18H18ClN3O2S/c1-11(17(23)24)22(14-6-7-14)10-15-16(12-2-4-13(19)5-3-12)20-18-21(15)8-9-25-18/h2-5,8-9,11,14H,6-7,10H2,1H3,(H,23,24)
InChIKeyPQNZMONJQSVXLD-UHFFFAOYSA-N
MW375.88 g/mol
LogP4.15
Rot. Bonds6

About 2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl-cyclopropylamino]propanoic acid

2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl-cyclopropylamino]propanoic acid (PubChem CID 122100367) has the molecular formula C18H18ClN3O2S and a molecular weight of 375.88 g/mol. Its IUPAC name is 2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl-cyclopropylamino]propanoic acid.

Molecular Properties

Compound Name2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl-cyclopropylamino]propanoic acid
PubChem CID122100367
Molecular FormulaC18H18ClN3O2S
Molecular Weight375.88 g/mol
Exact Mass375.08
IUPAC Name2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl-cyclopropylamino]propanoic acid
SMILESCC(C(=O)O)N(Cc1c(-c2ccc(Cl)cc2)nc2sccn12)C1CC1
InChIInChI=1S/C18H18ClN3O2S/c1-11(17(23)24)22(14-6-7-14)10-15-16(12-2-4-13(19)5-3-12)20-18-21(15)8-9-25-18/h2-5,8-9,11,14H,6-7,10H2,1H3,(H,23,24)
InChIKeyPQNZMONJQSVXLD-UHFFFAOYSA-N
XLogP4.15
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl-cyclopropylamino]propanoic acid?
The IUPAC name of 2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl-cyclopropylamino]propanoic acid (CID 122100367) is 2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl-cyclopropylamino]propanoic acid.
What is the SMILES notation for 2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl-cyclopropylamino]propanoic acid?
The canonical SMILES for 2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl-cyclopropylamino]propanoic acid is CC(C(=O)O)N(Cc1c(-c2ccc(Cl)cc2)nc2sccn12)C1CC1.
What is the InChIKey of 2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl-cyclopropylamino]propanoic acid?
The InChIKey is PQNZMONJQSVXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2S/c1-11(17(23)24)22(14-6-7-14)10-15-16(12-2-4-13(19)5-3-12)20-18-21(15)8-9-25-18/h2-5,8-9,11,14H,6-7,10H2,1H3,(H,23,24).
What are the key properties of 2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl-cyclopropylamino]propanoic acid?
2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl-cyclopropylamino]propanoic acid has a molecular weight of 375.88 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl-cyclopropylamino]propanoic acid is sourced from PubChem (CID 122100367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).