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

C14H20N2O3S — CID 114390988

IUPAC4-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCc1csc(CCNC(=O)C2CC(C)CC2C(=O)O)n1
InChIInChI=1S/C14H20N2O3S/c1-8-5-10(11(6-8)14(18)19)13(17)15-4-3-12-16-9(2)7-20-12/h7-8,10-11H,3-6H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyBQAAQKKNMUMKTM-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.86
Rot. Bonds5

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

4-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 114390988) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID114390988
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name4-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCc1csc(CCNC(=O)C2CC(C)CC2C(=O)O)n1
InChIInChI=1S/C14H20N2O3S/c1-8-5-10(11(6-8)14(18)19)13(17)15-4-3-12-16-9(2)7-20-12/h7-8,10-11H,3-6H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyBQAAQKKNMUMKTM-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-2-[4-(4-methyl-1,3-thiazol-2-yl)butylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125119577
2-[4-(4-methyl-1,3-thiazol-2-yl)butylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975907
2-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119185022
2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 103790265
3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 104859672
6-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 54913406
3,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine
CID 64752621
1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 115579398
2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]acetic acid
CID 82103146
trans-(1R,2R)-2-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 97323969
4-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 63240196
2-[methyl-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]acetic acid
CID 63240803

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 4-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid (CID 114390988) is 4-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid is Cc1csc(CCNC(=O)C2CC(C)CC2C(=O)O)n1.
What is the InChIKey of 4-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is BQAAQKKNMUMKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-8-5-10(11(6-8)14(18)19)13(17)15-4-3-12-16-9(2)7-20-12/h7-8,10-11H,3-6H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 4-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid?
4-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 296.39 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114390988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).