5-[[2-(azetidin-3-yl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid

C10H13N3O3S — CID 79402488

IUPAC5-[[2-(azetidin-3-yl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NC(=O)CC2CNC2)c1C(=O)O
InChIInChI=1S/C10H13N3O3S/c1-5-8(10(15)16)9(17-13-5)12-7(14)2-6-3-11-4-6/h6,11H,2-4H2,1H3,(H,12,14)(H,15,16)
InChIKeyKNFUHPBYKFDTAK-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.70
Rot. Bonds4

About 5-[[2-(azetidin-3-yl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid

5-[[2-(azetidin-3-yl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid (PubChem CID 79402488) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is 5-[[2-(azetidin-3-yl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(azetidin-3-yl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
PubChem CID79402488
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC Name5-[[2-(azetidin-3-yl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NC(=O)CC2CNC2)c1C(=O)O
InChIInChI=1S/C10H13N3O3S/c1-5-8(10(15)16)9(17-13-5)12-7(14)2-6-3-11-4-6/h6,11H,2-4H2,1H3,(H,12,14)(H,15,16)
InChIKeyKNFUHPBYKFDTAK-UHFFFAOYSA-N
XLogP0.70
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[[2-(azetidin-3-yl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid with MolForge

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Related Compounds

3-methyl-5-(3-piperidin-4-ylpropanoylamino)-1,2-thiazole-4-carboxylic acid
CID 79402732
5-(3-aminopropanoylamino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402258
3-methyl-5-[[2-(propan-2-ylamino)acetyl]amino]-1,2-thiazole-4-carboxylic acid
CID 79402493
5-[(3-amino-3-methylbutanoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402261
3-methyl-5-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]-1,2-thiazole-4-carboxylic acid
CID 60868642
3-methyl-5-(morpholine-2-carbonylamino)-1,2-thiazole-4-carboxylic acid
CID 79402107
3-methyl-5-[(2-propan-2-yloxyacetyl)amino]-1,2-thiazole-4-carboxylic acid
CID 112602057
5-[[2-(1-aminocyclohexyl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402566
5-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60869578
5-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397913
5-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 104678413
5-[[2-(4-bromophenoxy)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60869760

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(azetidin-3-yl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 5-[[2-(azetidin-3-yl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid (CID 79402488) is 5-[[2-(azetidin-3-yl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[[2-(azetidin-3-yl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[[2-(azetidin-3-yl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid is Cc1nsc(NC(=O)CC2CNC2)c1C(=O)O.
What is the InChIKey of 5-[[2-(azetidin-3-yl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The InChIKey is KNFUHPBYKFDTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-5-8(10(15)16)9(17-13-5)12-7(14)2-6-3-11-4-6/h6,11H,2-4H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 5-[[2-(azetidin-3-yl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
5-[[2-(azetidin-3-yl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid has a molecular weight of 255.30 g/mol, XLogP of 0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(azetidin-3-yl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 79402488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).