2-[2-[2-[(4-methyl-3-pyridinyl)sulfonylamino]ethyl]-1,3-thiazol-4-yl]acetic acid

C13H15N3O4S2 — CID 146092987

IUPAC2-[2-[2-[(4-methyl-3-pyridinyl)sulfonylamino]ethyl]-1,3-thiazol-4-yl]acetic acid
SMILESCc1ccncc1S(=O)(=O)NCCc1nc(CC(=O)O)cs1
InChIInChI=1S/C13H15N3O4S2/c1-9-2-4-14-7-11(9)22(19,20)15-5-3-12-16-10(8-21-12)6-13(17)18/h2,4,7-8,15H,3,5-6H2,1H3,(H,17,18)
InChIKeyAEDMMERHALKVBG-UHFFFAOYSA-N
MW341.41 g/mol
LogP0.99
Rot. Bonds7

About 2-[2-[2-[(4-methyl-3-pyridinyl)sulfonylamino]ethyl]-1,3-thiazol-4-yl]acetic acid

2-[2-[2-[(4-methyl-3-pyridinyl)sulfonylamino]ethyl]-1,3-thiazol-4-yl]acetic acid (PubChem CID 146092987) has the molecular formula C13H15N3O4S2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-[2-[2-[(4-methyl-3-pyridinyl)sulfonylamino]ethyl]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[(4-methyl-3-pyridinyl)sulfonylamino]ethyl]-1,3-thiazol-4-yl]acetic acid
PubChem CID146092987
Molecular FormulaC13H15N3O4S2
Molecular Weight341.41 g/mol
Exact Mass341.05
IUPAC Name2-[2-[2-[(4-methyl-3-pyridinyl)sulfonylamino]ethyl]-1,3-thiazol-4-yl]acetic acid
SMILESCc1ccncc1S(=O)(=O)NCCc1nc(CC(=O)O)cs1
InChIInChI=1S/C13H15N3O4S2/c1-9-2-4-14-7-11(9)22(19,20)15-5-3-12-16-10(8-21-12)6-13(17)18/h2,4,7-8,15H,3,5-6H2,1H3,(H,17,18)
InChIKeyAEDMMERHALKVBG-UHFFFAOYSA-N
XLogP0.99
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(2-anilinoethyl)-1,3-thiazol-4-yl]acetic acid
CID 94274570
2-[2-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]-1,3-thiazol-4-yl]acetic acid
CID 146128015
2-methyl-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110317740
2-[2-[2-(ethylamino)ethyl]-1,3-thiazol-4-yl]acetic acid
CID 94256908
2-[2-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-4-yl]acetic acid
CID 94260388
2-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372612
2-[4-[2-(4-methyl-3-pyridinyl)ethylsulfamoyl]phenyl]acetic acid
CID 166242151
2-[2-[(4-methylpyridin-1-ium-1-yl)methyl]-1,3-thiazol-4-yl]acetic acid chloride
CID 82032178
2-[2-(3,3-dimethylbutyl)-1,3-thiazol-4-yl]acetic acid
CID 59238394
2,4-dimethyl-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110317831
4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxylic acid
CID 81244563
2-[2-(pyridin-3-ylsulfonylamino)-1,3-thiazol-4-yl]acetic acid
CID 24701768

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(4-methyl-3-pyridinyl)sulfonylamino]ethyl]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[2-[(4-methyl-3-pyridinyl)sulfonylamino]ethyl]-1,3-thiazol-4-yl]acetic acid (CID 146092987) is 2-[2-[2-[(4-methyl-3-pyridinyl)sulfonylamino]ethyl]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[2-[(4-methyl-3-pyridinyl)sulfonylamino]ethyl]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[2-[(4-methyl-3-pyridinyl)sulfonylamino]ethyl]-1,3-thiazol-4-yl]acetic acid is Cc1ccncc1S(=O)(=O)NCCc1nc(CC(=O)O)cs1.
What is the InChIKey of 2-[2-[2-[(4-methyl-3-pyridinyl)sulfonylamino]ethyl]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is AEDMMERHALKVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S2/c1-9-2-4-14-7-11(9)22(19,20)15-5-3-12-16-10(8-21-12)6-13(17)18/h2,4,7-8,15H,3,5-6H2,1H3,(H,17,18).
What are the key properties of 2-[2-[2-[(4-methyl-3-pyridinyl)sulfonylamino]ethyl]-1,3-thiazol-4-yl]acetic acid?
2-[2-[2-[(4-methyl-3-pyridinyl)sulfonylamino]ethyl]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 341.41 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(4-methyl-3-pyridinyl)sulfonylamino]ethyl]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 146092987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).