2-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]-2-(oxan-3-yl)acetic acid

C14H17N3O4S — CID 120547799

IUPAC2-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]-2-(oxan-3-yl)acetic acid
SMILESO=C(Cc1csc2nccn12)NC(C(=O)O)C1CCCOC1
InChIInChI=1S/C14H17N3O4S/c18-11(6-10-8-22-14-15-3-4-17(10)14)16-12(13(19)20)9-2-1-5-21-7-9/h3-4,8-9,12H,1-2,5-7H2,(H,16,18)(H,19,20)
InChIKeyKGDBHHKEZODQAQ-UHFFFAOYSA-N
MW323.37 g/mol
LogP0.93
Rot. Bonds5

About 2-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]-2-(oxan-3-yl)acetic acid

2-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]-2-(oxan-3-yl)acetic acid (PubChem CID 120547799) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]-2-(oxan-3-yl)acetic acid.

Molecular Properties

Compound Name2-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]-2-(oxan-3-yl)acetic acid
PubChem CID120547799
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name2-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]-2-(oxan-3-yl)acetic acid
SMILESO=C(Cc1csc2nccn12)NC(C(=O)O)C1CCCOC1
InChIInChI=1S/C14H17N3O4S/c18-11(6-10-8-22-14-15-3-4-17(10)14)16-12(13(19)20)9-2-1-5-21-7-9/h3-4,8-9,12H,1-2,5-7H2,(H,16,18)(H,19,20)
InChIKeyKGDBHHKEZODQAQ-UHFFFAOYSA-N
XLogP0.93
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]-2-(oxan-3-yl)acetic acid with MolForge

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Related Compounds

2-(oxan-3-yl)-2-[3-(1,3-thiazol-2-yl)propanoylamino]acetic acid
CID 120547636
cis-(1R,3S)-3-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 120678751
2-(oxan-3-yl)-2-[(2-quinolin-8-ylacetyl)amino]acetic acid
CID 120549107
2-(oxan-3-yl)-2-[[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]acetic acid
CID 120548158
2-[[2-(4-chlorophenoxy)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120548047
2-[[2-(4-methylphenoxy)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547601
2-(oxan-3-yl)-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]acetic acid
CID 120547869
2-[[2-(2,6-dimethoxyphenyl)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547999
2-(oxan-3-yl)-2-[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]acetic acid
CID 120549078
2-(oxan-3-yl)-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetic acid
CID 120547564
2-(oxan-3-yl)-2-[[2-(4-propoxyphenoxy)acetyl]amino]acetic acid
CID 120547606
2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120690226

Frequently Asked Questions

What is the IUPAC name of 2-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]-2-(oxan-3-yl)acetic acid?
The IUPAC name of 2-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]-2-(oxan-3-yl)acetic acid (CID 120547799) is 2-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]-2-(oxan-3-yl)acetic acid.
What is the SMILES notation for 2-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]-2-(oxan-3-yl)acetic acid?
The canonical SMILES for 2-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]-2-(oxan-3-yl)acetic acid is O=C(Cc1csc2nccn12)NC(C(=O)O)C1CCCOC1.
What is the InChIKey of 2-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]-2-(oxan-3-yl)acetic acid?
The InChIKey is KGDBHHKEZODQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c18-11(6-10-8-22-14-15-3-4-17(10)14)16-12(13(19)20)9-2-1-5-21-7-9/h3-4,8-9,12H,1-2,5-7H2,(H,16,18)(H,19,20).
What are the key properties of 2-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]-2-(oxan-3-yl)acetic acid?
2-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]-2-(oxan-3-yl)acetic acid has a molecular weight of 323.37 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]-2-(oxan-3-yl)acetic acid is sourced from PubChem (CID 120547799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).