2-[4-(3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carbonyl)piperazin-1-yl]acetic acid

C13H14N4O4S — CID 134145192

IUPAC2-[4-(3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carbonyl)piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(C(=O)n2sc3ncccc3c2=O)CC1
InChIInChI=1S/C13H14N4O4S/c18-10(19)8-15-4-6-16(7-5-15)13(21)17-12(20)9-2-1-3-14-11(9)22-17/h1-3H,4-8H2,(H,18,19)
InChIKeyAWNYUHMSFMVGDS-UHFFFAOYSA-N
MW322.35 g/mol
LogP0.13
Rot. Bonds2

About 2-[4-(3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carbonyl)piperazin-1-yl]acetic acid

2-[4-(3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carbonyl)piperazin-1-yl]acetic acid (PubChem CID 134145192) has the molecular formula C13H14N4O4S and a molecular weight of 322.35 g/mol. Its IUPAC name is 2-[4-(3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carbonyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carbonyl)piperazin-1-yl]acetic acid
PubChem CID134145192
Molecular FormulaC13H14N4O4S
Molecular Weight322.35 g/mol
Exact Mass322.07
IUPAC Name2-[4-(3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carbonyl)piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(C(=O)n2sc3ncccc3c2=O)CC1
InChIInChI=1S/C13H14N4O4S/c18-10(19)8-15-4-6-16(7-5-15)13(21)17-12(20)9-2-1-3-14-11(9)22-17/h1-3H,4-8H2,(H,18,19)
InChIKeyAWNYUHMSFMVGDS-UHFFFAOYSA-N
XLogP0.13
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-methylimidazol-4-yl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
CID 54771315
2-[4-[2-(2-oxopyrimidin-1-yl)acetyl]-1,4-diazepan-1-yl]acetic acid
CID 62823744
2-[4-(4-chloropyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 114036479
3-oxo-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
CID 54770856
methyl 2-(3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)benzoate
CID 10016832
4-[2-(benzylamino)-2-oxoethyl]-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 134052899
2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetic acid
CID 43521604
2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]acetic acid
CID 65055730
N-[(3-fluoro-4-methoxyphenyl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
CID 70651205
N-[5-(2-methoxyethoxy)-2,3-dihydro-1H-inden-1-yl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
CID 54770855
2-(3-ethylpyrazolo[3,4-b]pyridin-1-yl)acetic acid
CID 143383912
copper 2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 6398176

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carbonyl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carbonyl)piperazin-1-yl]acetic acid (CID 134145192) is 2-[4-(3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carbonyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carbonyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carbonyl)piperazin-1-yl]acetic acid is O=C(O)CN1CCN(C(=O)n2sc3ncccc3c2=O)CC1.
What is the InChIKey of 2-[4-(3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carbonyl)piperazin-1-yl]acetic acid?
The InChIKey is AWNYUHMSFMVGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4S/c18-10(19)8-15-4-6-16(7-5-15)13(21)17-12(20)9-2-1-3-14-11(9)22-17/h1-3H,4-8H2,(H,18,19).
What are the key properties of 2-[4-(3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carbonyl)piperazin-1-yl]acetic acid?
2-[4-(3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carbonyl)piperazin-1-yl]acetic acid has a molecular weight of 322.35 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carbonyl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 134145192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).