6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid

C15H20N2O3S — CID 115679847

IUPAC6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
SMILESCCc1cnc(C(C)NC(=O)C2CC=CCC2C(=O)O)s1
InChIInChI=1S/C15H20N2O3S/c1-3-10-8-16-14(21-10)9(2)17-13(18)11-6-4-5-7-12(11)15(19)20/h4-5,8-9,11-12H,3,6-7H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyFAIZSTYWWKKCAX-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.55
Rot. Bonds5

About 6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid

6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid (PubChem CID 115679847) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
PubChem CID115679847
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
SMILESCCc1cnc(C(C)NC(=O)C2CC=CCC2C(=O)O)s1
InChIInChI=1S/C15H20N2O3S/c1-3-10-8-16-14(21-10)9(2)17-13(18)11-6-4-5-7-12(11)15(19)20/h4-5,8-9,11-12H,3,6-7H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyFAIZSTYWWKKCAX-UHFFFAOYSA-N
XLogP2.55
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methylpiperidine-4-carboxamide
CID 106740581
2-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl-methylamino]acetic acid
CID 113364270
(2R)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 113264319
(2R)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 103812633
6-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 114167863
2-[ethyl-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]acetic acid
CID 113364271
(1S,6R)-6-[[(1R)-1-(furan-2-yl)ethyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 93037484
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2,2,2-trifluoroacetamide
CID 112696819
2-(azetidin-3-yl)-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 113267211
(1R,6S)-6-[[(2S)-butan-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 124745374
1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]urea
CID 102563246
1-cyano-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide
CID 113387290

Frequently Asked Questions

What is the IUPAC name of 6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid (CID 115679847) is 6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid is CCc1cnc(C(C)NC(=O)C2CC=CCC2C(=O)O)s1.
What is the InChIKey of 6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid?
The InChIKey is FAIZSTYWWKKCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-3-10-8-16-14(21-10)9(2)17-13(18)11-6-4-5-7-12(11)15(19)20/h4-5,8-9,11-12H,3,6-7H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid?
6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid has a molecular weight of 308.40 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 115679847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).