2-[3-[[(4S)-3-acetyl-1,3-thiazolidine-4-carbonyl]amino]pyrazol-1-yl]acetic acid

C11H14N4O4S — CID 125153102

IUPAC2-[3-[[(4S)-3-acetyl-1,3-thiazolidine-4-carbonyl]amino]pyrazol-1-yl]acetic acid
SMILESCC(=O)N1CSC[C@@H]1C(=O)Nc1ccn(CC(=O)O)n1
InChIInChI=1S/C11H14N4O4S/c1-7(16)15-6-20-5-8(15)11(19)12-9-2-3-14(13-9)4-10(17)18/h2-3,8H,4-6H2,1H3,(H,17,18)(H,12,13,19)/t8-/m1/s1
InChIKeySENLGCVUEULFTB-MRVPVSSYSA-N
MW298.32 g/mol
LogP-0.17
Rot. Bonds4

About 2-[3-[[(4S)-3-acetyl-1,3-thiazolidine-4-carbonyl]amino]pyrazol-1-yl]acetic acid

2-[3-[[(4S)-3-acetyl-1,3-thiazolidine-4-carbonyl]amino]pyrazol-1-yl]acetic acid (PubChem CID 125153102) has the molecular formula C11H14N4O4S and a molecular weight of 298.32 g/mol. Its IUPAC name is 2-[3-[[(4S)-3-acetyl-1,3-thiazolidine-4-carbonyl]amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[[(4S)-3-acetyl-1,3-thiazolidine-4-carbonyl]amino]pyrazol-1-yl]acetic acid
PubChem CID125153102
Molecular FormulaC11H14N4O4S
Molecular Weight298.32 g/mol
Exact Mass298.07
IUPAC Name2-[3-[[(4S)-3-acetyl-1,3-thiazolidine-4-carbonyl]amino]pyrazol-1-yl]acetic acid
SMILESCC(=O)N1CSC[C@@H]1C(=O)Nc1ccn(CC(=O)O)n1
InChIInChI=1S/C11H14N4O4S/c1-7(16)15-6-20-5-8(15)11(19)12-9-2-3-14(13-9)4-10(17)18/h2-3,8H,4-6H2,1H3,(H,17,18)(H,12,13,19)/t8-/m1/s1
InChIKeySENLGCVUEULFTB-MRVPVSSYSA-N
XLogP-0.17
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(4S)-3-acetyl-1,3-thiazolidine-4-carbonyl]amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[[(4S)-3-acetyl-1,3-thiazolidine-4-carbonyl]amino]pyrazol-1-yl]acetic acid (CID 125153102) is 2-[3-[[(4S)-3-acetyl-1,3-thiazolidine-4-carbonyl]amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[[(4S)-3-acetyl-1,3-thiazolidine-4-carbonyl]amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[[(4S)-3-acetyl-1,3-thiazolidine-4-carbonyl]amino]pyrazol-1-yl]acetic acid is CC(=O)N1CSC[C@@H]1C(=O)Nc1ccn(CC(=O)O)n1.
What is the InChIKey of 2-[3-[[(4S)-3-acetyl-1,3-thiazolidine-4-carbonyl]amino]pyrazol-1-yl]acetic acid?
The InChIKey is SENLGCVUEULFTB-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14N4O4S/c1-7(16)15-6-20-5-8(15)11(19)12-9-2-3-14(13-9)4-10(17)18/h2-3,8H,4-6H2,1H3,(H,17,18)(H,12,13,19)/t8-/m1/s1.
What are the key properties of 2-[3-[[(4S)-3-acetyl-1,3-thiazolidine-4-carbonyl]amino]pyrazol-1-yl]acetic acid?
2-[3-[[(4S)-3-acetyl-1,3-thiazolidine-4-carbonyl]amino]pyrazol-1-yl]acetic acid has a molecular weight of 298.32 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(4S)-3-acetyl-1,3-thiazolidine-4-carbonyl]amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 125153102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).