(2R)-2-(2,4-difluorophenyl)-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)acetic acid

C14H9F2N3O3S — CID 97202424

IUPAC(2R)-2-(2,4-difluorophenyl)-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)acetic acid
SMILESO=C(N[C@@H](C(=O)O)c1ccc(F)cc1F)c1cn2ccsc2n1
InChIInChI=1S/C14H9F2N3O3S/c15-7-1-2-8(9(16)5-7)11(13(21)22)18-12(20)10-6-19-3-4-23-14(19)17-10/h1-6,11H,(H,18,20)(H,21,22)/t11-/m1/s1
InChIKeyZBWWADMGPUEJHX-LLVKDONJSA-N
MW337.31 g/mol
LogP2.23
Rot. Bonds4

About (2R)-2-(2,4-difluorophenyl)-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)acetic acid

(2R)-2-(2,4-difluorophenyl)-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)acetic acid (PubChem CID 97202424) has the molecular formula C14H9F2N3O3S and a molecular weight of 337.31 g/mol. Its IUPAC name is (2R)-2-(2,4-difluorophenyl)-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)acetic acid.

Molecular Properties

Compound Name(2R)-2-(2,4-difluorophenyl)-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)acetic acid
PubChem CID97202424
Molecular FormulaC14H9F2N3O3S
Molecular Weight337.31 g/mol
Exact Mass337.03
IUPAC Name(2R)-2-(2,4-difluorophenyl)-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)acetic acid
SMILESO=C(N[C@@H](C(=O)O)c1ccc(F)cc1F)c1cn2ccsc2n1
InChIInChI=1S/C14H9F2N3O3S/c15-7-1-2-8(9(16)5-7)11(13(21)22)18-12(20)10-6-19-3-4-23-14(19)17-10/h1-6,11H,(H,18,20)(H,21,22)/t11-/m1/s1
InChIKeyZBWWADMGPUEJHX-LLVKDONJSA-N
XLogP2.23
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)propanoic acid
CID 72877180
2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)-3-(3,4,5-trifluorophenyl)propanoic acid
CID 156607462
N-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 110862757
2-[[1-(4-bromophenyl)imidazole-4-carbonyl]amino]-2-(2,4-difluorophenyl)acetic acid
CID 75445866
(2S)-2-[[1-(4-bromophenyl)imidazole-4-carbonyl]amino]-2-(2,4-difluorophenyl)acetic acid
CID 97259425
N-[2-(4-fluorophenyl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 110852567
N-(4-fluoro-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 130283677
(2R)-2-(2,4-difluorophenyl)-2-(methylamino)acetic acid
CID 93280033
(2S)-2-(2,4-difluorophenyl)-2-(quinoline-6-carbonylamino)acetic acid
CID 97259411
2-[(2,4-difluorobenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 115283875
2-(2,4-difluorophenyl)-2-(4-fluoroanilino)acetic acid
CID 60992205
6-(2,5-difluorophenyl)imidazo[2,1-b][1,3]thiazole
CID 115281719

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-difluorophenyl)-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)acetic acid?
The IUPAC name of (2R)-2-(2,4-difluorophenyl)-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)acetic acid (CID 97202424) is (2R)-2-(2,4-difluorophenyl)-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)acetic acid.
What is the SMILES notation for (2R)-2-(2,4-difluorophenyl)-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)acetic acid?
The canonical SMILES for (2R)-2-(2,4-difluorophenyl)-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)acetic acid is O=C(N[C@@H](C(=O)O)c1ccc(F)cc1F)c1cn2ccsc2n1.
What is the InChIKey of (2R)-2-(2,4-difluorophenyl)-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)acetic acid?
The InChIKey is ZBWWADMGPUEJHX-LLVKDONJSA-N. The full InChI is InChI=1S/C14H9F2N3O3S/c15-7-1-2-8(9(16)5-7)11(13(21)22)18-12(20)10-6-19-3-4-23-14(19)17-10/h1-6,11H,(H,18,20)(H,21,22)/t11-/m1/s1.
What are the key properties of (2R)-2-(2,4-difluorophenyl)-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)acetic acid?
(2R)-2-(2,4-difluorophenyl)-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)acetic acid has a molecular weight of 337.31 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-difluorophenyl)-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)acetic acid is sourced from PubChem (CID 97202424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).