4-(azetidin-1-ylmethyl)-1,3-thiazole-2-carboxylic acid

C8H10N2O2S — CID 130547609

IUPAC4-(azetidin-1-ylmethyl)-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(CN2CCC2)cs1
InChIInChI=1S/C8H10N2O2S/c11-8(12)7-9-6(5-13-7)4-10-2-1-3-10/h5H,1-4H2,(H,11,12)
InChIKeySUJJSSCDZWAPFR-UHFFFAOYSA-N
MW198.25 g/mol
LogP1.05
Rot. Bonds3

About 4-(azetidin-1-ylmethyl)-1,3-thiazole-2-carboxylic acid

4-(azetidin-1-ylmethyl)-1,3-thiazole-2-carboxylic acid (PubChem CID 130547609) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is 4-(azetidin-1-ylmethyl)-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-(azetidin-1-ylmethyl)-1,3-thiazole-2-carboxylic acid
PubChem CID130547609
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name4-(azetidin-1-ylmethyl)-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(CN2CCC2)cs1
InChIInChI=1S/C8H10N2O2S/c11-8(12)7-9-6(5-13-7)4-10-2-1-3-10/h5H,1-4H2,(H,11,12)
InChIKeySUJJSSCDZWAPFR-UHFFFAOYSA-N
XLogP1.05
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-tert-butylpiperidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 55033011
4-[(4-butan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 62773649
4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 63170613
4-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
CID 107226638
4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664522
4-[(3-methoxypyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 103535120
2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 55119291
4-ethyl-1,3-thiazole-2-carboxylic acid
CID 39235458
4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxylic acid
CID 64598386
4-(pyrazol-1-ylmethyl)-1,3-thiazole-2-carboxylic acid
CID 43664440
4-[(2-ethylpyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 60973649
4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 63170483

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-ylmethyl)-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-(azetidin-1-ylmethyl)-1,3-thiazole-2-carboxylic acid (CID 130547609) is 4-(azetidin-1-ylmethyl)-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-(azetidin-1-ylmethyl)-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-(azetidin-1-ylmethyl)-1,3-thiazole-2-carboxylic acid is O=C(O)c1nc(CN2CCC2)cs1.
What is the InChIKey of 4-(azetidin-1-ylmethyl)-1,3-thiazole-2-carboxylic acid?
The InChIKey is SUJJSSCDZWAPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c11-8(12)7-9-6(5-13-7)4-10-2-1-3-10/h5H,1-4H2,(H,11,12).
What are the key properties of 4-(azetidin-1-ylmethyl)-1,3-thiazole-2-carboxylic acid?
4-(azetidin-1-ylmethyl)-1,3-thiazole-2-carboxylic acid has a molecular weight of 198.25 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-ylmethyl)-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 130547609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).