2-[2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid

C10H12N4O4S2 — CID 62063668

IUPAC2-[2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
SMILESCc1nc(S(=O)(=O)Nc2nc(CC(=O)O)cs2)cn1C
InChIInChI=1S/C10H12N4O4S2/c1-6-11-8(4-14(6)2)20(17,18)13-10-12-7(5-19-10)3-9(15)16/h4-5H,3H2,1-2H3,(H,12,13)(H,15,16)
InChIKeyWZQCXBQEZIZZOB-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.61
Rot. Bonds5

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

2-[2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 62063668) has the molecular formula C10H12N4O4S2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
PubChem CID62063668
Molecular FormulaC10H12N4O4S2
Molecular Weight316.36 g/mol
Exact Mass316.03
IUPAC Name2-[2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
SMILESCc1nc(S(=O)(=O)Nc2nc(CC(=O)O)cs2)cn1C
InChIInChI=1S/C10H12N4O4S2/c1-6-11-8(4-14(6)2)20(17,18)13-10-12-7(5-19-10)3-9(15)16/h4-5H,3H2,1-2H3,(H,12,13)(H,15,16)
InChIKeyWZQCXBQEZIZZOB-UHFFFAOYSA-N
XLogP0.61
TPSA114.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-1,2-dimethylimidazole-4-sulfonamide
CID 64572227
2-[2-(methylsulfamoylamino)-1,3-thiazol-4-yl]acetic acid
CID 114805146
2-[4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]pyrazol-1-yl]acetic acid
CID 62063149
2-[2-[(4-methylsulfonylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87546649
2-[2-(propylsulfonylamino)-1,3-thiazol-4-yl]acetic acid
CID 16777075
2-[2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 103099582
2-[2-(pyridin-3-ylsulfonylamino)-1,3-thiazol-4-yl]acetic acid
CID 24701768
2-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 43344111
2-[2-[(2,4-difluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 43328550
2-(1,2-dimethylimidazol-4-yl)acetic acid
CID 82279387
2-[2-(dipropylsulfamoylamino)-1,3-thiazol-4-yl]acetic acid
CID 43361116
2-[2-[(3,4-dimethoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 20983652

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid (CID 62063668) is 2-[2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid is Cc1nc(S(=O)(=O)Nc2nc(CC(=O)O)cs2)cn1C.
What is the InChIKey of 2-[2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is WZQCXBQEZIZZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O4S2/c1-6-11-8(4-14(6)2)20(17,18)13-10-12-7(5-19-10)3-9(15)16/h4-5H,3H2,1-2H3,(H,12,13)(H,15,16).
What are the key properties of 2-[2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 316.36 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 62063668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).