2-[4-(4-methyl-1,3-thiazol-2-yl)butylcarbamoyl]cyclobutane-1-carboxylic acid

C14H20N2O3S — CID 120975907

IUPAC2-[4-(4-methyl-1,3-thiazol-2-yl)butylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCc1csc(CCCCNC(=O)C2CCC2C(=O)O)n1
InChIInChI=1S/C14H20N2O3S/c1-9-8-20-12(16-9)4-2-3-7-15-13(17)10-5-6-11(10)14(18)19/h8,10-11H,2-7H2,1H3,(H,15,17)(H,18,19)
InChIKeyVLCLLPSNBKHGNT-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.00
Rot. Bonds7

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

2-[4-(4-methyl-1,3-thiazol-2-yl)butylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120975907) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[4-(4-methyl-1,3-thiazol-2-yl)butylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-(4-methyl-1,3-thiazol-2-yl)butylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120975907
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-[4-(4-methyl-1,3-thiazol-2-yl)butylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCc1csc(CCCCNC(=O)C2CCC2C(=O)O)n1
InChIInChI=1S/C14H20N2O3S/c1-9-8-20-12(16-9)4-2-3-7-15-13(17)10-5-6-11(10)14(18)19/h8,10-11H,2-7H2,1H3,(H,15,17)(H,18,19)
InChIKeyVLCLLPSNBKHGNT-UHFFFAOYSA-N
XLogP2.00
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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

Computed Properties (RDKit)

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

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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
4-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114390988
(2S,4S)-2-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-4-carboxamide;hydrochloride
CID 120635411
4-hydroxy-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]pyrrolidine-2-carboxamide
CID 119875317
N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-3-carboxamide;dihydrochloride
CID 119875284
(3S)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]oxolane-3-carboxamide
CID 124527551
1-(3-methylsulfanylcyclopentyl)-3-[4-(4-methyl-1,3-thiazol-2-yl)butyl]urea
CID 71990317
6-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 54913406
2-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119185022
(3S)-3-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1,3-dicarboxamide
CID 97113726
(3S)-6,6-dimethyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-5-oxothiomorpholine-3-carboxamide
CID 125178511
2-(2-aminoethyl)-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-1,3-thiazole-4-carboxamide
CID 120646096

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methyl-1,3-thiazol-2-yl)butylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[4-(4-methyl-1,3-thiazol-2-yl)butylcarbamoyl]cyclobutane-1-carboxylic acid (CID 120975907) is 2-[4-(4-methyl-1,3-thiazol-2-yl)butylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[4-(4-methyl-1,3-thiazol-2-yl)butylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[4-(4-methyl-1,3-thiazol-2-yl)butylcarbamoyl]cyclobutane-1-carboxylic acid is Cc1csc(CCCCNC(=O)C2CCC2C(=O)O)n1.
What is the InChIKey of 2-[4-(4-methyl-1,3-thiazol-2-yl)butylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is VLCLLPSNBKHGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-9-8-20-12(16-9)4-2-3-7-15-13(17)10-5-6-11(10)14(18)19/h8,10-11H,2-7H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 2-[4-(4-methyl-1,3-thiazol-2-yl)butylcarbamoyl]cyclobutane-1-carboxylic acid?
2-[4-(4-methyl-1,3-thiazol-2-yl)butylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 296.39 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methyl-1,3-thiazol-2-yl)butylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120975907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).