methyl 4-[2-(1H-pyrazol-5-ylsulfonylamino)-1,3-thiazol-4-yl]butanoate

C11H14N4O4S2 — CID 102693711

IUPACmethyl 4-[2-(1H-pyrazol-5-ylsulfonylamino)-1,3-thiazol-4-yl]butanoate
SMILESCOC(=O)CCCc1csc(NS(=O)(=O)c2ccn[nH]2)n1
InChIInChI=1S/C11H14N4O4S2/c1-19-10(16)4-2-3-8-7-20-11(13-8)15-21(17,18)9-5-6-12-14-9/h5-7H,2-4H2,1H3,(H,12,14)(H,13,15)
InChIKeyUQOLHFFLDICCDO-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.16
Rot. Bonds7

About methyl 4-[2-(1H-pyrazol-5-ylsulfonylamino)-1,3-thiazol-4-yl]butanoate

methyl 4-[2-(1H-pyrazol-5-ylsulfonylamino)-1,3-thiazol-4-yl]butanoate (PubChem CID 102693711) has the molecular formula C11H14N4O4S2 and a molecular weight of 330.39 g/mol. Its IUPAC name is methyl 4-[2-(1H-pyrazol-5-ylsulfonylamino)-1,3-thiazol-4-yl]butanoate.

Molecular Properties

Compound Namemethyl 4-[2-(1H-pyrazol-5-ylsulfonylamino)-1,3-thiazol-4-yl]butanoate
PubChem CID102693711
Molecular FormulaC11H14N4O4S2
Molecular Weight330.39 g/mol
Exact Mass330.05
IUPAC Namemethyl 4-[2-(1H-pyrazol-5-ylsulfonylamino)-1,3-thiazol-4-yl]butanoate
SMILESCOC(=O)CCCc1csc(NS(=O)(=O)c2ccn[nH]2)n1
InChIInChI=1S/C11H14N4O4S2/c1-19-10(16)4-2-3-8-7-20-11(13-8)15-21(17,18)9-5-6-12-14-9/h5-7H,2-4H2,1H3,(H,12,14)(H,13,15)
InChIKeyUQOLHFFLDICCDO-UHFFFAOYSA-N
XLogP1.16
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[2-(3-methoxypropylsulfonylamino)-1,3-thiazol-4-yl]butanoate
CID 80655416
4-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80655544
4-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]butanoic acid
CID 80655396
methyl 2-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 43624509
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-pyrazole-5-sulfonamide
CID 106038822
methyl 3-[2-[(5-amino-5-oxopentyl)amino]-1,3-thiazol-4-yl]propanoate
CID 114162847
methyl 3-[2-(2-methylbutan-2-ylamino)-1,3-thiazol-4-yl]propanoate
CID 107039847
methyl 2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 43624510
(2S)-5-methoxy-5-oxo-2-(1H-pyrazol-5-ylsulfonylamino)pentanoic acid
CID 114005092
methyl 3-[2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]-1,3-thiazol-4-yl]propanoate
CID 114168223
methyl 4-[2-[(2-methylthiolane-2-carbonyl)amino]-1,3-thiazol-4-yl]butanoate
CID 80997935
methyl 3-[2-(2,3-dimethylbutylamino)-1,3-thiazol-4-yl]propanoate
CID 107040453

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(1H-pyrazol-5-ylsulfonylamino)-1,3-thiazol-4-yl]butanoate?
The IUPAC name of methyl 4-[2-(1H-pyrazol-5-ylsulfonylamino)-1,3-thiazol-4-yl]butanoate (CID 102693711) is methyl 4-[2-(1H-pyrazol-5-ylsulfonylamino)-1,3-thiazol-4-yl]butanoate.
What is the SMILES notation for methyl 4-[2-(1H-pyrazol-5-ylsulfonylamino)-1,3-thiazol-4-yl]butanoate?
The canonical SMILES for methyl 4-[2-(1H-pyrazol-5-ylsulfonylamino)-1,3-thiazol-4-yl]butanoate is COC(=O)CCCc1csc(NS(=O)(=O)c2ccn[nH]2)n1.
What is the InChIKey of methyl 4-[2-(1H-pyrazol-5-ylsulfonylamino)-1,3-thiazol-4-yl]butanoate?
The InChIKey is UQOLHFFLDICCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4S2/c1-19-10(16)4-2-3-8-7-20-11(13-8)15-21(17,18)9-5-6-12-14-9/h5-7H,2-4H2,1H3,(H,12,14)(H,13,15).
What are the key properties of methyl 4-[2-(1H-pyrazol-5-ylsulfonylamino)-1,3-thiazol-4-yl]butanoate?
methyl 4-[2-(1H-pyrazol-5-ylsulfonylamino)-1,3-thiazol-4-yl]butanoate has a molecular weight of 330.39 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(1H-pyrazol-5-ylsulfonylamino)-1,3-thiazol-4-yl]butanoate is sourced from PubChem (CID 102693711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).