3-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid

C14H20N2O3S — CID 103952615

IUPAC3-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCCc1cnc(CNC(=O)C2CCCC(C(=O)O)C2)s1
InChIInChI=1S/C14H20N2O3S/c1-2-11-7-15-12(20-11)8-16-13(17)9-4-3-5-10(6-9)14(18)19/h7,9-10H,2-6,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyVEXVMIMUTHMKFB-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.21
Rot. Bonds5

About 3-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid

3-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 103952615) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 3-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID103952615
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name3-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCCc1cnc(CNC(=O)C2CCCC(C(=O)O)C2)s1
InChIInChI=1S/C14H20N2O3S/c1-2-11-7-15-12(20-11)8-16-13(17)9-4-3-5-10(6-9)14(18)19/h7,9-10H,2-6,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyVEXVMIMUTHMKFB-UHFFFAOYSA-N
XLogP2.21
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid (CID 103952615) is 3-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid is CCc1cnc(CNC(=O)C2CCCC(C(=O)O)C2)s1.
What is the InChIKey of 3-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is VEXVMIMUTHMKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-2-11-7-15-12(20-11)8-16-13(17)9-4-3-5-10(6-9)14(18)19/h7,9-10H,2-6,8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
3-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 296.39 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 103952615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).