1-[(2-phenyl-1,3-thiazol-4-yl)methylamino]cyclobutane-1-carboxylic acid

C15H16N2O2S — CID 81167912

IUPAC1-[(2-phenyl-1,3-thiazol-4-yl)methylamino]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(NCc2csc(-c3ccccc3)n2)CCC1
InChIInChI=1S/C15H16N2O2S/c18-14(19)15(7-4-8-15)16-9-12-10-20-13(17-12)11-5-2-1-3-6-11/h1-3,5-6,10,16H,4,7-9H2,(H,18,19)
InChIKeyIAXVNHRUQIVGFU-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.91
Rot. Bonds5

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

1-[(2-phenyl-1,3-thiazol-4-yl)methylamino]cyclobutane-1-carboxylic acid (PubChem CID 81167912) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-[(2-phenyl-1,3-thiazol-4-yl)methylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-phenyl-1,3-thiazol-4-yl)methylamino]cyclobutane-1-carboxylic acid
PubChem CID81167912
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name1-[(2-phenyl-1,3-thiazol-4-yl)methylamino]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(NCc2csc(-c3ccccc3)n2)CCC1
InChIInChI=1S/C15H16N2O2S/c18-14(19)15(7-4-8-15)16-9-12-10-20-13(17-12)11-5-2-1-3-6-11/h1-3,5-6,10,16H,4,7-9H2,(H,18,19)
InChIKeyIAXVNHRUQIVGFU-UHFFFAOYSA-N
XLogP2.91
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-propyl-1,3-thiazol-4-yl)methylamino]cyclobutane-1-carboxylic acid
CID 81168163
2-hydroxy-2-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
CID 111536450
1-(1,3-thiazol-4-ylmethylamino)cyclobutane-1-carboxylic acid
CID 81167359
1-(benzylamino)cycloheptane-1-carboxylic acid
CID 60991600
4-[[(2-phenyl-1,3-thiazol-4-yl)methylamino]methyl]thian-4-ol
CID 111436762
1-(2-cyclopentylethyl)-3-[(2-phenyl-1,3-thiazol-4-yl)methyl]urea
CID 86960431
2-[1-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]cyclobutyl]acetic acid
CID 119217558
1-[(5-methyl-1,2-oxazol-3-yl)methylamino]cyclobutane-1-carboxylic acid
CID 81166855
cis-(1S,2R)-2-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124886534
trans-(1S,2S)-2-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124886542
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide
CID 2997523
4-(methylamino)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]butanamide;hydrochloride
CID 119726944

Frequently Asked Questions

What is the IUPAC name of 1-[(2-phenyl-1,3-thiazol-4-yl)methylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(2-phenyl-1,3-thiazol-4-yl)methylamino]cyclobutane-1-carboxylic acid (CID 81167912) is 1-[(2-phenyl-1,3-thiazol-4-yl)methylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-phenyl-1,3-thiazol-4-yl)methylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(2-phenyl-1,3-thiazol-4-yl)methylamino]cyclobutane-1-carboxylic acid is O=C(O)C1(NCc2csc(-c3ccccc3)n2)CCC1.
What is the InChIKey of 1-[(2-phenyl-1,3-thiazol-4-yl)methylamino]cyclobutane-1-carboxylic acid?
The InChIKey is IAXVNHRUQIVGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c18-14(19)15(7-4-8-15)16-9-12-10-20-13(17-12)11-5-2-1-3-6-11/h1-3,5-6,10,16H,4,7-9H2,(H,18,19).
What are the key properties of 1-[(2-phenyl-1,3-thiazol-4-yl)methylamino]cyclobutane-1-carboxylic acid?
1-[(2-phenyl-1,3-thiazol-4-yl)methylamino]cyclobutane-1-carboxylic acid has a molecular weight of 288.37 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-phenyl-1,3-thiazol-4-yl)methylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81167912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).