cis-(1R,3S)-3-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]cyclopentane-1-carboxylic acid

C13H15N3O3S — CID 120678751

IUPACcis-(1R,3S)-3-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cc1csc2nccn12)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H15N3O3S/c17-11(15-9-2-1-8(5-9)12(18)19)6-10-7-20-13-14-3-4-16(10)13/h3-4,7-9H,1-2,5-6H2,(H,15,17)(H,18,19)/t8-,9+/m1/s1
InChIKeyCGWHJHMIEMLARP-BDAKNGLRSA-N
MW293.35 g/mol
LogP1.31
Rot. Bonds4

About cis-(1R,3S)-3-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 120678751) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]cyclopentane-1-carboxylic acid
PubChem CID120678751
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Namecis-(1R,3S)-3-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(Cc1csc2nccn12)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H15N3O3S/c17-11(15-9-2-1-8(5-9)12(18)19)6-10-7-20-13-14-3-4-16(10)13/h3-4,7-9H,1-2,5-6H2,(H,15,17)(H,18,19)/t8-,9+/m1/s1
InChIKeyCGWHJHMIEMLARP-BDAKNGLRSA-N
XLogP1.31
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze cis-(1R,3S)-3-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

N-[3-(3-chlorophenyl)cyclohexyl]-2-imidazo[2,1-b][1,3]thiazol-3-ylacetamide
CID 146092309
cis-(1R,3S)-3-[[2-(1H-pyrazol-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 106320327
3-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66032903
3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 63041849
cis-(1S,3R)-3-[(2-quinolin-8-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 120674754
cis-(1R,3S)-3-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120679060
cis-(1R,3S)-3-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678603
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66031336
3-[[2-(cyclopropylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66031562
cis-(1S,3R)-3-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676085
3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66032317
3-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)amino]cyclopentane-1-carboxylic acid
CID 66030575

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]cyclopentane-1-carboxylic acid (CID 120678751) is cis-(1R,3S)-3-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]cyclopentane-1-carboxylic acid is O=C(Cc1csc2nccn12)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is CGWHJHMIEMLARP-BDAKNGLRSA-N. The full InChI is InChI=1S/C13H15N3O3S/c17-11(15-9-2-1-8(5-9)12(18)19)6-10-7-20-13-14-3-4-16(10)13/h3-4,7-9H,1-2,5-6H2,(H,15,17)(H,18,19)/t8-,9+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 293.35 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(2-imidazo[2,1-b][1,3]thiazol-3-ylacetyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120678751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).