1-(1,3-thiazol-4-ylmethylamino)cyclobutane-1-carboxylic acid

C9H12N2O2S — CID 81167359

IUPAC1-(1,3-thiazol-4-ylmethylamino)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(NCc2cscn2)CCC1
InChIInChI=1S/C9H12N2O2S/c12-8(13)9(2-1-3-9)11-4-7-5-14-6-10-7/h5-6,11H,1-4H2,(H,12,13)
InChIKeyMARVQTQGORYIEH-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.24
Rot. Bonds4

About 1-(1,3-thiazol-4-ylmethylamino)cyclobutane-1-carboxylic acid

1-(1,3-thiazol-4-ylmethylamino)cyclobutane-1-carboxylic acid (PubChem CID 81167359) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 1-(1,3-thiazol-4-ylmethylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1,3-thiazol-4-ylmethylamino)cyclobutane-1-carboxylic acid
PubChem CID81167359
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name1-(1,3-thiazol-4-ylmethylamino)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(NCc2cscn2)CCC1
InChIInChI=1S/C9H12N2O2S/c12-8(13)9(2-1-3-9)11-4-7-5-14-6-10-7/h5-6,11H,1-4H2,(H,12,13)
InChIKeyMARVQTQGORYIEH-UHFFFAOYSA-N
XLogP1.24
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-thiazol-4-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 63823970
[1-(1,3-thiazol-4-ylmethylamino)cyclohexyl]methanol
CID 62521702
1-[3-(1,3-thiazol-4-yl)propanoylamino]cycloheptane-1-carboxylic acid
CID 120538662
4-methyl-1-(1,3-thiazol-4-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63823966
1-[(2-phenyl-1,3-thiazol-4-yl)methylamino]cyclobutane-1-carboxylic acid
CID 81167912
1-(pyridin-2-ylmethylamino)cyclopentane-1-carboxylic acid
CID 71565011
1-[(2-propyl-1,3-thiazol-4-yl)methylamino]cyclobutane-1-carboxylic acid
CID 81168163
1-[(5-methyl-1,2-oxazol-3-yl)methylamino]cyclobutane-1-carboxylic acid
CID 81166855
1-[(5-methylpyrazin-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 114997429
2-[1-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]cyclohexyl]acetic acid
CID 62198087
1-methyl-3-(1,3-thiazol-4-ylmethyl)urea
CID 23548401
1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]cyclobutane-1-carboxylic acid
CID 81168169

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-4-ylmethylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(1,3-thiazol-4-ylmethylamino)cyclobutane-1-carboxylic acid (CID 81167359) is 1-(1,3-thiazol-4-ylmethylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(1,3-thiazol-4-ylmethylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(1,3-thiazol-4-ylmethylamino)cyclobutane-1-carboxylic acid is O=C(O)C1(NCc2cscn2)CCC1.
What is the InChIKey of 1-(1,3-thiazol-4-ylmethylamino)cyclobutane-1-carboxylic acid?
The InChIKey is MARVQTQGORYIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c12-8(13)9(2-1-3-9)11-4-7-5-14-6-10-7/h5-6,11H,1-4H2,(H,12,13).
What are the key properties of 1-(1,3-thiazol-4-ylmethylamino)cyclobutane-1-carboxylic acid?
1-(1,3-thiazol-4-ylmethylamino)cyclobutane-1-carboxylic acid has a molecular weight of 212.27 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-4-ylmethylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81167359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).