4-ethyl-2-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid

C14H20N2O3S — CID 114511706

IUPAC4-ethyl-2-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)N(C)Cc2cscn2)C1
InChIInChI=1S/C14H20N2O3S/c1-3-9-4-11(12(5-9)14(18)19)13(17)16(2)6-10-7-20-8-15-10/h7-9,11-12H,3-6H2,1-2H3,(H,18,19)
InChIKeyWMLAZMZRZZHDCH-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.24
Rot. Bonds5

About 4-ethyl-2-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid

4-ethyl-2-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 114511706) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-ethyl-2-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID114511706
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name4-ethyl-2-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)N(C)Cc2cscn2)C1
InChIInChI=1S/C14H20N2O3S/c1-3-9-4-11(12(5-9)14(18)19)13(17)16(2)6-10-7-20-8-15-10/h7-9,11-12H,3-6H2,1-2H3,(H,18,19)
InChIKeyWMLAZMZRZZHDCH-UHFFFAOYSA-N
XLogP2.24
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 4-ethyl-2-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 114511706) is 4-ethyl-2-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-2-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid is CCC1CC(C(=O)O)C(C(=O)N(C)Cc2cscn2)C1.
What is the InChIKey of 4-ethyl-2-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is WMLAZMZRZZHDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-3-9-4-11(12(5-9)14(18)19)13(17)16(2)6-10-7-20-8-15-10/h7-9,11-12H,3-6H2,1-2H3,(H,18,19).
What are the key properties of 4-ethyl-2-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid?
4-ethyl-2-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 296.39 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114511706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).