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

C14H20N2O3S — CID 106041455

IUPAC4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1nc(CCNC(=O)C2CCC(C(=O)O)CC2)cs1
InChIInChI=1S/C14H20N2O3S/c1-9-16-12(8-20-9)6-7-15-13(17)10-2-4-11(5-3-10)14(18)19/h8,10-11H,2-7H2,1H3,(H,15,17)(H,18,19)
InChIKeyDRPHEINTVYCNGY-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.00
Rot. Bonds5

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

4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 106041455) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID106041455
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1nc(CCNC(=O)C2CCC(C(=O)O)CC2)cs1
InChIInChI=1S/C14H20N2O3S/c1-9-16-12(8-20-9)6-7-15-13(17)10-2-4-11(5-3-10)14(18)19/h8,10-11H,2-7H2,1H3,(H,15,17)(H,18,19)
InChIKeyDRPHEINTVYCNGY-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 103790265
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119841463
4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672380
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide
CID 110471916
(2R,3S)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 106032460
cis-(1R,2S)-4-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106032480
4-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxylic acid
CID 172582162
1-(4-bromobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 20974814
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 77059141
4-amino-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide
CID 114140510
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56585989
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 33263319

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid (CID 106041455) is 4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid is Cc1nc(CCNC(=O)C2CCC(C(=O)O)CC2)cs1.
What is the InChIKey of 4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is DRPHEINTVYCNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-9-16-12(8-20-9)6-7-15-13(17)10-2-4-11(5-3-10)14(18)19/h8,10-11H,2-7H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 296.39 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 106041455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).