2-[1-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]azetidin-3-yl]propanoic acid

C11H15N3O3S — CID 116682851

IUPAC2-[1-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]azetidin-3-yl]propanoic acid
SMILESCc1csc(NC(=O)N2CC(C(C)C(=O)O)C2)n1
InChIInChI=1S/C11H15N3O3S/c1-6-5-18-10(12-6)13-11(17)14-3-8(4-14)7(2)9(15)16/h5,7-8H,3-4H2,1-2H3,(H,15,16)(H,12,13,17)
InChIKeyJKJWEHZYCCTFCM-UHFFFAOYSA-N
MW269.33 g/mol
LogP1.64
Rot. Bonds3

About 2-[1-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]azetidin-3-yl]propanoic acid

2-[1-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]azetidin-3-yl]propanoic acid (PubChem CID 116682851) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-[1-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]azetidin-3-yl]propanoic acid
PubChem CID116682851
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name2-[1-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]azetidin-3-yl]propanoic acid
SMILESCc1csc(NC(=O)N2CC(C(C)C(=O)O)C2)n1
InChIInChI=1S/C11H15N3O3S/c1-6-5-18-10(12-6)13-11(17)14-3-8(4-14)7(2)9(15)16/h5,7-8H,3-4H2,1-2H3,(H,15,16)(H,12,13,17)
InChIKeyJKJWEHZYCCTFCM-UHFFFAOYSA-N
XLogP1.64
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 138997096
4-N-methyl-1-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
CID 47194180
2-N-methyl-4-N-(4-methyl-1,3-thiazol-2-yl)morpholine-2,4-dicarboxamide
CID 75484296
4-benzyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 86986848
4-[(4-fluorophenyl)-hydroxymethyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 111109253
(1R)-2,2-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1-oxo-1,4-thiazinane-4-carboxamide
CID 96538355
2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116681654
N-(4-methyl-1,3-thiazol-2-yl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986799
N-(4-methyl-1,3-thiazol-2-yl)-4-piperidin-4-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 167903662
N-(4-methyl-1,3-thiazol-2-yl)-2-piperazin-1-ylpropanamide
CID 43130749
N-(4-methyl-1,3-thiazol-2-yl)-4-(3-propan-2-ylphenoxy)piperidine-1-carboxamide
CID 25052527
4-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 145485976

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]azetidin-3-yl]propanoic acid (CID 116682851) is 2-[1-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]azetidin-3-yl]propanoic acid is Cc1csc(NC(=O)N2CC(C(C)C(=O)O)C2)n1.
What is the InChIKey of 2-[1-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]azetidin-3-yl]propanoic acid?
The InChIKey is JKJWEHZYCCTFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-6-5-18-10(12-6)13-11(17)14-3-8(4-14)7(2)9(15)16/h5,7-8H,3-4H2,1-2H3,(H,15,16)(H,12,13,17).
What are the key properties of 2-[1-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]azetidin-3-yl]propanoic acid?
2-[1-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]azetidin-3-yl]propanoic acid has a molecular weight of 269.33 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116682851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).