4-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid

C14H20N2O3S — CID 63783830

IUPAC4-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCCc1nc(NC(=O)C2CCC(C(=O)O)CC2)sc1C
InChIInChI=1S/C14H20N2O3S/c1-3-11-8(2)20-14(15-11)16-12(17)9-4-6-10(7-5-9)13(18)19/h9-10H,3-7H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyMYZUXQJQYUDKSQ-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.84
Rot. Bonds4

About 4-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid

4-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 63783830) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID63783830
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name4-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCCc1nc(NC(=O)C2CCC(C(=O)O)CC2)sc1C
InChIInChI=1S/C14H20N2O3S/c1-3-11-8(2)20-14(15-11)16-12(17)9-4-6-10(7-5-9)13(18)19/h9-10H,3-7H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyMYZUXQJQYUDKSQ-UHFFFAOYSA-N
XLogP2.84
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid (CID 63783830) is 4-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid is CCc1nc(NC(=O)C2CCC(C(=O)O)CC2)sc1C.
What is the InChIKey of 4-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is MYZUXQJQYUDKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-3-11-8(2)20-14(15-11)16-12(17)9-4-6-10(7-5-9)13(18)19/h9-10H,3-7H2,1-2H3,(H,18,19)(H,15,16,17).
What are the key properties of 4-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
4-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 296.39 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63783830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).