cis-(1R,3S)-3-[(4-chloro-1,3-thiazol-2-yl)amino]cyclopentane-1-carboxylic acid

C9H11ClN2O2S — CID 106322407

IUPACcis-(1R,3S)-3-[(4-chloro-1,3-thiazol-2-yl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@H](Nc2nc(Cl)cs2)C1
InChIInChI=1S/C9H11ClN2O2S/c10-7-4-15-9(12-7)11-6-2-1-5(3-6)8(13)14/h4-6H,1-3H2,(H,11,12)(H,13,14)/t5-,6+/m1/s1
InChIKeyOYMGYIVJYDUILN-RITPCOANSA-N
MW246.72 g/mol
LogP2.46
Rot. Bonds3

About cis-(1R,3S)-3-[(4-chloro-1,3-thiazol-2-yl)amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(4-chloro-1,3-thiazol-2-yl)amino]cyclopentane-1-carboxylic acid (PubChem CID 106322407) has the molecular formula C9H11ClN2O2S and a molecular weight of 246.72 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(4-chloro-1,3-thiazol-2-yl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(4-chloro-1,3-thiazol-2-yl)amino]cyclopentane-1-carboxylic acid
PubChem CID106322407
Molecular FormulaC9H11ClN2O2S
Molecular Weight246.72 g/mol
Exact Mass246.02
IUPAC Namecis-(1R,3S)-3-[(4-chloro-1,3-thiazol-2-yl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@H](Nc2nc(Cl)cs2)C1
InChIInChI=1S/C9H11ClN2O2S/c10-7-4-15-9(12-7)11-6-2-1-5(3-6)8(13)14/h4-6H,1-3H2,(H,11,12)(H,13,14)/t5-,6+/m1/s1
InChIKeyOYMGYIVJYDUILN-RITPCOANSA-N
XLogP2.46
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-chloro-1,3-thiazol-2-yl)amino]cyclohexan-1-ol
CID 83152279
3-[(4-bromo-1,3-thiazol-2-yl)amino]cyclohexane-1-carboxylic acid
CID 79400195
4-chloro-N-cyclohex-3-en-1-yl-1,3-thiazol-2-amine
CID 83151957
4-chloro-N-(4-methylthiolan-3-yl)-1,3-thiazol-2-amine
CID 130857385
4-[(4-methyl-1,3-thiazol-2-yl)amino]cyclohexane-1-carboxamide
CID 61044116
cis-(1R,3S)-3-[(5-nitro-1,3-thiazol-2-yl)amino]cyclopentane-1-carboxylic acid
CID 106322245
cis-(1R,3S)-3-[(6-chloropyrazine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106321292
cis-(1S,3R)-3-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676152
cis-(1R,3S)-3-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678603
4-chloro-N-[(2S,3S)-2-methylpiperidin-3-yl]-1,3-thiazol-2-amine
CID 130908656
3-[(5-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 66030583
azepan-1-yl-[2-(cyclopropylamino)-1,3-thiazol-4-yl]methanone
CID 71702866

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(4-chloro-1,3-thiazol-2-yl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(4-chloro-1,3-thiazol-2-yl)amino]cyclopentane-1-carboxylic acid (CID 106322407) is cis-(1R,3S)-3-[(4-chloro-1,3-thiazol-2-yl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(4-chloro-1,3-thiazol-2-yl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(4-chloro-1,3-thiazol-2-yl)amino]cyclopentane-1-carboxylic acid is O=C(O)[C@@H]1CC[C@H](Nc2nc(Cl)cs2)C1.
What is the InChIKey of cis-(1R,3S)-3-[(4-chloro-1,3-thiazol-2-yl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is OYMGYIVJYDUILN-RITPCOANSA-N. The full InChI is InChI=1S/C9H11ClN2O2S/c10-7-4-15-9(12-7)11-6-2-1-5(3-6)8(13)14/h4-6H,1-3H2,(H,11,12)(H,13,14)/t5-,6+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(4-chloro-1,3-thiazol-2-yl)amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(4-chloro-1,3-thiazol-2-yl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 246.72 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(4-chloro-1,3-thiazol-2-yl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106322407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).