2-[4-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]pyrazol-1-yl]acetic acid

C11H11N5O4S — CID 61018758

IUPAC2-[4-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESCC(=O)Nc1nc(C(=O)Nc2cnn(CC(=O)O)c2)cs1
InChIInChI=1S/C11H11N5O4S/c1-6(17)13-11-15-8(5-21-11)10(20)14-7-2-12-16(3-7)4-9(18)19/h2-3,5H,4H2,1H3,(H,14,20)(H,18,19)(H,13,15,17)
InChIKeyYTKDXHXRHVDLQM-UHFFFAOYSA-N
MW309.31 g/mol
LogP0.63
Rot. Bonds5

About 2-[4-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]pyrazol-1-yl]acetic acid

2-[4-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]pyrazol-1-yl]acetic acid (PubChem CID 61018758) has the molecular formula C11H11N5O4S and a molecular weight of 309.31 g/mol. Its IUPAC name is 2-[4-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]pyrazol-1-yl]acetic acid
PubChem CID61018758
Molecular FormulaC11H11N5O4S
Molecular Weight309.31 g/mol
Exact Mass309.05
IUPAC Name2-[4-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESCC(=O)Nc1nc(C(=O)Nc2cnn(CC(=O)O)c2)cs1
InChIInChI=1S/C11H11N5O4S/c1-6(17)13-11-15-8(5-21-11)10(20)14-7-2-12-16(3-7)4-9(18)19/h2-3,5H,4H2,1H3,(H,14,20)(H,18,19)(H,13,15,17)
InChIKeyYTKDXHXRHVDLQM-UHFFFAOYSA-N
XLogP0.63
TPSA126.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(propanoylamino)pyrazol-1-yl]acetic acid
CID 61018204
2-[4-(2-acetamidopropanoylamino)pyrazol-1-yl]acetic acid
CID 61018489
2-[4-(1H-pyrazole-4-carbonylamino)pyrazol-1-yl]acetic acid
CID 61019180
2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500808
5-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]pyridine-3-carboxylic acid
CID 63153384
2-acetamido-N-(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 39162467
2-acetamido-N-(2-methylprop-2-enyl)-1,3-thiazole-4-carboxamide
CID 114618458
2-[4-(4-aminobutanoylamino)pyrazol-1-yl]acetic acid
CID 61285548
5-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 82009749
2-[4-[(4-methylsulfanylbenzoyl)amino]pyrazol-1-yl]acetic acid
CID 61017597
[[4-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]phenyl]methylcarbamoylamino]carbamic acid
CID 87182652
2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 66377447

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]pyrazol-1-yl]acetic acid (CID 61018758) is 2-[4-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]pyrazol-1-yl]acetic acid is CC(=O)Nc1nc(C(=O)Nc2cnn(CC(=O)O)c2)cs1.
What is the InChIKey of 2-[4-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]pyrazol-1-yl]acetic acid?
The InChIKey is YTKDXHXRHVDLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O4S/c1-6(17)13-11-15-8(5-21-11)10(20)14-7-2-12-16(3-7)4-9(18)19/h2-3,5H,4H2,1H3,(H,14,20)(H,18,19)(H,13,15,17).
What are the key properties of 2-[4-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]pyrazol-1-yl]acetic acid?
2-[4-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]pyrazol-1-yl]acetic acid has a molecular weight of 309.31 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 61018758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).