2-[1-[5-cyclopropyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetic acid

C12H13F3N2O2S — CID 171808592

IUPAC2-[1-[5-cyclopropyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(c2nc(C(F)(F)F)c(C3CC3)s2)C1
InChIInChI=1S/C12H13F3N2O2S/c13-12(14,15)10-9(7-1-2-7)20-11(16-10)17-4-6(5-17)3-8(18)19/h6-7H,1-5H2,(H,18,19)
InChIKeyGXYHWMTVFVVRBV-UHFFFAOYSA-N
MW306.31 g/mol
LogP2.95
Rot. Bonds4

About 2-[1-[5-cyclopropyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetic acid

2-[1-[5-cyclopropyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetic acid (PubChem CID 171808592) has the molecular formula C12H13F3N2O2S and a molecular weight of 306.31 g/mol. Its IUPAC name is 2-[1-[5-cyclopropyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[5-cyclopropyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetic acid
PubChem CID171808592
Molecular FormulaC12H13F3N2O2S
Molecular Weight306.31 g/mol
Exact Mass306.06
IUPAC Name2-[1-[5-cyclopropyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(c2nc(C(F)(F)F)c(C3CC3)s2)C1
InChIInChI=1S/C12H13F3N2O2S/c13-12(14,15)10-9(7-1-2-7)20-11(16-10)17-4-6(5-17)3-8(18)19/h6-7H,1-5H2,(H,18,19)
InChIKeyGXYHWMTVFVVRBV-UHFFFAOYSA-N
XLogP2.95
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-[1-[5-cyclopropyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetyl]-1,3,4-trimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-2-one
CID 171808552
2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]azetidin-3-yl]acetic acid
CID 114449392
2-[1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]acetic acid
CID 79868711
2-[3-(dimethylamino)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 68766985
2-[1-[2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]acetic acid
CID 175435462
2-[1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]acetic acid
CID 82383599
2-[1-[6-(trifluoromethyl)pyridazin-4-yl]azetidin-3-yl]acetic acid
CID 171808816
2-[1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)azetidin-3-yl]acetic acid
CID 136959028
3-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]propanoic acid
CID 114449444
2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]acetic acid
CID 64616049
2-[3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]acetic acid
CID 126600075
2-[4-[4-[[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]phenyl]cyclohexyl]acetic acid
CID 46212578

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-cyclopropyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[5-cyclopropyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetic acid (CID 171808592) is 2-[1-[5-cyclopropyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[5-cyclopropyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[5-cyclopropyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetic acid is O=C(O)CC1CN(c2nc(C(F)(F)F)c(C3CC3)s2)C1.
What is the InChIKey of 2-[1-[5-cyclopropyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetic acid?
The InChIKey is GXYHWMTVFVVRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2S/c13-12(14,15)10-9(7-1-2-7)20-11(16-10)17-4-6(5-17)3-8(18)19/h6-7H,1-5H2,(H,18,19).
What are the key properties of 2-[1-[5-cyclopropyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetic acid?
2-[1-[5-cyclopropyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetic acid has a molecular weight of 306.31 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-cyclopropyl-4-(trifluoromethyl)-1,3-thiazol-2-yl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 171808592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).