2-[2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid

C10H9ClN2O4S3 — CID 103099582

IUPAC2-[2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
SMILESCc1cc(S(=O)(=O)Nc2nc(CC(=O)O)cs2)sc1Cl
InChIInChI=1S/C10H9ClN2O4S3/c1-5-2-8(19-9(5)11)20(16,17)13-10-12-6(4-18-10)3-7(14)15/h2,4H,3H2,1H3,(H,12,13)(H,14,15)
InChIKeyCQKPUKFUGACVLC-UHFFFAOYSA-N
MW352.85 g/mol
LogP2.59
Rot. Bonds5

About 2-[2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid

2-[2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 103099582) has the molecular formula C10H9ClN2O4S3 and a molecular weight of 352.85 g/mol. Its IUPAC name is 2-[2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
PubChem CID103099582
Molecular FormulaC10H9ClN2O4S3
Molecular Weight352.85 g/mol
Exact Mass351.94
IUPAC Name2-[2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
SMILESCc1cc(S(=O)(=O)Nc2nc(CC(=O)O)cs2)sc1Cl
InChIInChI=1S/C10H9ClN2O4S3/c1-5-2-8(19-9(5)11)20(16,17)13-10-12-6(4-18-10)3-7(14)15/h2,4H,3H2,1H3,(H,12,13)(H,14,15)
InChIKeyCQKPUKFUGACVLC-UHFFFAOYSA-N
XLogP2.59
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.85
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(4-fluoro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 43344111
2-[2-[[5-(2-methylsulfanylpyrimidin-4-yl)thiophen-2-yl]sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87547245
2-[2-(methylsulfamoylamino)-1,3-thiazol-4-yl]acetic acid
CID 114805146
2-[2-[(4-methylsulfonylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87546649
2-[2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 62063668
ethyl 2-[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 10294454
2-[2-(propylsulfonylamino)-1,3-thiazol-4-yl]acetic acid
CID 16777075
2-[2-[(3,4-dimethoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 20983652
2-[2-[[2-(3,4-dimethylphenyl)acetyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 60708471
2-[2-[(2,4-difluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 43328550
2-[2-[(3-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 81264697
2-[2-[(2,5-dimethoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87546100

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid (CID 103099582) is 2-[2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid is Cc1cc(S(=O)(=O)Nc2nc(CC(=O)O)cs2)sc1Cl.
What is the InChIKey of 2-[2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is CQKPUKFUGACVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O4S3/c1-5-2-8(19-9(5)11)20(16,17)13-10-12-6(4-18-10)3-7(14)15/h2,4H,3H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-[2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 352.85 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 103099582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).