(2S)-1-(2-acetamido-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid

C12H15N3O4S — CID 66264126

IUPAC(2S)-1-(2-acetamido-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid
SMILESCC(=O)Nc1nc(C(=O)N2CCCC[C@H]2C(=O)O)cs1
InChIInChI=1S/C12H15N3O4S/c1-7(16)13-12-14-8(6-20-12)10(17)15-5-3-2-4-9(15)11(18)19/h6,9H,2-5H2,1H3,(H,18,19)(H,13,14,16)/t9-/m0/s1
InChIKeyNYCDBYBPDZCEOG-VIFPVBQESA-N
MW297.34 g/mol
LogP1.18
Rot. Bonds3

About (2S)-1-(2-acetamido-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid

(2S)-1-(2-acetamido-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid (PubChem CID 66264126) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is (2S)-1-(2-acetamido-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2-acetamido-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid
PubChem CID66264126
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC Name(2S)-1-(2-acetamido-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid
SMILESCC(=O)Nc1nc(C(=O)N2CCCC[C@H]2C(=O)O)cs1
InChIInChI=1S/C12H15N3O4S/c1-7(16)13-12-14-8(6-20-12)10(17)15-5-3-2-4-9(15)11(18)19/h6,9H,2-5H2,1H3,(H,18,19)(H,13,14,16)/t9-/m0/s1
InChIKeyNYCDBYBPDZCEOG-VIFPVBQESA-N
XLogP1.18
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(2-acetamido-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylate
CID 43623809
1-[2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 82033333
1-[2-[(2-methoxyacetyl)amino]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 82033329
1-[2-(butylamino)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid
CID 42813693
(2S)-1-(2-amino-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 62787051
1-[2-(3-phenylpropanoylamino)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 84556029
(2S)-1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid
CID 66381598
1-[2-(4-fluoroanilino)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 42795710
1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid
CID 126789127
N-[4-[(2R)-2-(2-phenylethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 94671551
1-[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid
CID 119175795
1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid
CID 167911729

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-acetamido-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2-acetamido-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid (CID 66264126) is (2S)-1-(2-acetamido-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2-acetamido-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2-acetamido-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid is CC(=O)Nc1nc(C(=O)N2CCCC[C@H]2C(=O)O)cs1.
What is the InChIKey of (2S)-1-(2-acetamido-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is NYCDBYBPDZCEOG-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-7(16)13-12-14-8(6-20-12)10(17)15-5-3-2-4-9(15)11(18)19/h6,9H,2-5H2,1H3,(H,18,19)(H,13,14,16)/t9-/m0/s1.
What are the key properties of (2S)-1-(2-acetamido-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid?
(2S)-1-(2-acetamido-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 297.34 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-acetamido-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 66264126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).