cis-(1S,3R)-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid

C13H18N2O3S — CID 114092118

IUPACcis-(1S,3R)-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCc1nc(NC(=O)[C@@H]2CC[C@H](C(=O)O)C2)sc1C
InChIInChI=1S/C13H18N2O3S/c1-3-10-7(2)19-13(14-10)15-11(16)8-4-5-9(6-8)12(17)18/h8-9H,3-6H2,1-2H3,(H,17,18)(H,14,15,16)/t8-,9+/m1/s1
InChIKeyAMFAJCQJDYSHOJ-BDAKNGLRSA-N
MW282.36 g/mol
LogP2.45
Rot. Bonds4

About cis-(1S,3R)-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 114092118) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is cis-(1S,3R)-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID114092118
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Namecis-(1S,3R)-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCc1nc(NC(=O)[C@@H]2CC[C@H](C(=O)O)C2)sc1C
InChIInChI=1S/C13H18N2O3S/c1-3-10-7(2)19-13(14-10)15-11(16)8-4-5-9(6-8)12(17)18/h8-9H,3-6H2,1-2H3,(H,17,18)(H,14,15,16)/t8-,9+/m1/s1
InChIKeyAMFAJCQJDYSHOJ-BDAKNGLRSA-N
XLogP2.45
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid (CID 114092118) is cis-(1S,3R)-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid is CCc1nc(NC(=O)[C@@H]2CC[C@H](C(=O)O)C2)sc1C.
What is the InChIKey of cis-(1S,3R)-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is AMFAJCQJDYSHOJ-BDAKNGLRSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-3-10-7(2)19-13(14-10)15-11(16)8-4-5-9(6-8)12(17)18/h8-9H,3-6H2,1-2H3,(H,17,18)(H,14,15,16)/t8-,9+/m1/s1.
What are the key properties of cis-(1S,3R)-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 282.36 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114092118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).