cis-(1R,3S)-3-[2-(1,3-thiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid

C12H16N2O3S — CID 166254916

IUPACcis-(1R,3S)-3-[2-(1,3-thiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@H](C(=O)NCCc2cncs2)C1
InChIInChI=1S/C12H16N2O3S/c15-11(8-1-2-9(5-8)12(16)17)14-4-3-10-6-13-7-18-10/h6-9H,1-5H2,(H,14,15)(H,16,17)/t8-,9+/m0/s1
InChIKeyCIFMYORWOZNCDS-DTWKUNHWSA-N
MW268.34 g/mol
LogP1.30
Rot. Bonds5

About cis-(1R,3S)-3-[2-(1,3-thiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[2-(1,3-thiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 166254916) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is cis-(1R,3S)-3-[2-(1,3-thiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[2-(1,3-thiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID166254916
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Namecis-(1R,3S)-3-[2-(1,3-thiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@H](C(=O)NCCc2cncs2)C1
InChIInChI=1S/C12H16N2O3S/c15-11(8-1-2-9(5-8)12(16)17)14-4-3-10-6-13-7-18-10/h6-9H,1-5H2,(H,14,15)(H,16,17)/t8-,9+/m0/s1
InChIKeyCIFMYORWOZNCDS-DTWKUNHWSA-N
XLogP1.30
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(1-Acetamidocyclopentyl)-1,3-thiazol-5-yl]propanoic acid
CID 18682327
5-Oxo-5-[2-(1,3-thiazol-5-yl)ethylamino]pentanoic acid
CID 124019689
2-[(2S,3R)-5-oxo-2-(1,3-thiazol-5-yl)pyrrolidin-3-yl]acetic acid
CID 96603436
3-[Methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103550386
3-[2-(1,3-Thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550731
3-[2-(1,3-Thiazol-4-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550763
3-[1-(5-Ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103551116
3-[1-(5-Methyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103551117
3-(1,3-Thiazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103551237
3-[(5-Ethyl-1,3-thiazol-2-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 103952615
3-[1-(5-Ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 104216060
2-[1-[2-Oxo-2-(1,3-thiazol-5-ylmethylamino)ethyl]cyclopentyl]acetic acid
CID 104576307

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[2-(1,3-thiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[2-(1,3-thiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid (CID 166254916) is cis-(1R,3S)-3-[2-(1,3-thiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[2-(1,3-thiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[2-(1,3-thiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid is O=C(O)[C@@H]1CC[C@H](C(=O)NCCc2cncs2)C1.
What is the InChIKey of cis-(1R,3S)-3-[2-(1,3-thiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is CIFMYORWOZNCDS-DTWKUNHWSA-N. The full InChI is InChI=1S/C12H16N2O3S/c15-11(8-1-2-9(5-8)12(16)17)14-4-3-10-6-13-7-18-10/h6-9H,1-5H2,(H,14,15)(H,16,17)/t8-,9+/m0/s1.
What are the key properties of cis-(1R,3S)-3-[2-(1,3-thiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[2-(1,3-thiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 268.34 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[2-(1,3-thiazol-5-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 166254916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).