2-[1-(1,3-thiazol-2-ylamino)cyclobutyl]acetic acid

C9H12N2O2S — CID 79846026

IUPAC2-[1-(1,3-thiazol-2-ylamino)cyclobutyl]acetic acid
SMILESO=C(O)CC1(Nc2nccs2)CCC1
InChIInChI=1S/C9H12N2O2S/c12-7(13)6-9(2-1-3-9)11-8-10-4-5-14-8/h4-5H,1-3,6H2,(H,10,11)(H,12,13)
InChIKeyBZCKNEPKRYERAF-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.95
Rot. Bonds4

About 2-[1-(1,3-thiazol-2-ylamino)cyclobutyl]acetic acid

2-[1-(1,3-thiazol-2-ylamino)cyclobutyl]acetic acid (PubChem CID 79846026) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-[1-(1,3-thiazol-2-ylamino)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(1,3-thiazol-2-ylamino)cyclobutyl]acetic acid
PubChem CID79846026
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name2-[1-(1,3-thiazol-2-ylamino)cyclobutyl]acetic acid
SMILESO=C(O)CC1(Nc2nccs2)CCC1
InChIInChI=1S/C9H12N2O2S/c12-7(13)6-9(2-1-3-9)11-8-10-4-5-14-8/h4-5H,1-3,6H2,(H,10,11)(H,12,13)
InChIKeyBZCKNEPKRYERAF-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(methoxymethyl)cyclobutyl]-1,3-thiazol-2-amine
CID 131043174
2-[1-(thieno[3,2-d]pyrimidin-4-ylamino)cyclobutyl]acetic acid
CID 79845929
2-[1-[(4-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]acetic acid
CID 64699603
2-[1-(pyrimidin-2-ylamino)cyclohexyl]acetic acid
CID 64701184
[4-methyl-1-(1,3-thiazol-2-ylamino)cyclohexyl]methanol
CID 62525855
2-[1-(pyridin-4-ylamino)cyclopentyl]acetic acid
CID 64701158
2-[1-[2-oxo-2-(1,3-thiazol-2-ylmethylamino)ethyl]cyclopentyl]acetic acid
CID 61283476
2-[1-(pyrazin-2-ylamino)cyclohexyl]acetic acid
CID 64701383
2-[1-[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]cyclobutyl]acetic acid
CID 103385131
2-[1-[(3-nitro-2-pyridinyl)amino]cyclobutyl]acetic acid
CID 79846545
2-[1-[(3-carbamoylpyrazin-2-yl)amino]cyclohexyl]acetic acid
CID 64702363
1-hydroxy-N-(1,3-thiazol-2-yl)cyclopentane-1-carboxamide
CID 110906941

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,3-thiazol-2-ylamino)cyclobutyl]acetic acid?
The IUPAC name of 2-[1-(1,3-thiazol-2-ylamino)cyclobutyl]acetic acid (CID 79846026) is 2-[1-(1,3-thiazol-2-ylamino)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(1,3-thiazol-2-ylamino)cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(1,3-thiazol-2-ylamino)cyclobutyl]acetic acid is O=C(O)CC1(Nc2nccs2)CCC1.
What is the InChIKey of 2-[1-(1,3-thiazol-2-ylamino)cyclobutyl]acetic acid?
The InChIKey is BZCKNEPKRYERAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c12-7(13)6-9(2-1-3-9)11-8-10-4-5-14-8/h4-5H,1-3,6H2,(H,10,11)(H,12,13).
What are the key properties of 2-[1-(1,3-thiazol-2-ylamino)cyclobutyl]acetic acid?
2-[1-(1,3-thiazol-2-ylamino)cyclobutyl]acetic acid has a molecular weight of 212.27 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,3-thiazol-2-ylamino)cyclobutyl]acetic acid is sourced from PubChem (CID 79846026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).