4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]butanoic acid

C10H16N2O4S2 — CID 55261145

IUPAC4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]butanoic acid
SMILESCc1ncsc1CN(C)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C10H16N2O4S2/c1-8-9(17-7-11-8)6-12(2)18(15,16)5-3-4-10(13)14/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyHXPAXTYVSNJEQY-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.08
Rot. Bonds7

About 4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]butanoic acid

4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]butanoic acid (PubChem CID 55261145) has the molecular formula C10H16N2O4S2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]butanoic acid
PubChem CID55261145
Molecular FormulaC10H16N2O4S2
Molecular Weight292.38 g/mol
Exact Mass292.06
IUPAC Name4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]butanoic acid
SMILESCc1ncsc1CN(C)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C10H16N2O4S2/c1-8-9(17-7-11-8)6-12(2)18(15,16)5-3-4-10(13)14/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyHXPAXTYVSNJEQY-UHFFFAOYSA-N
XLogP1.08
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1-sulfonamide
CID 63836299
4-[methyl(1,3-thiazol-4-ylmethyl)sulfamoyl]butanoic acid
CID 55013682
2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]propanoic acid
CID 63843969
4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]-propan-2-ylamino]butanoic acid
CID 63836625
4-[methyl(thiophen-2-ylmethyl)sulfamoyl]butanoic acid
CID 43362034
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-2-sulfonamide
CID 63822516
3-chloro-N,2-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1-sulfonamide
CID 79585000
3-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]propanoic acid
CID 63280700
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63821575
4-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]butanoic acid
CID 54875156
4-[(2,4-dimethylphenyl)methyl-methylsulfamoyl]butanoic acid
CID 43362073
3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propanethioamide
CID 63838147

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]butanoic acid?
The IUPAC name of 4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]butanoic acid (CID 55261145) is 4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]butanoic acid.
What is the SMILES notation for 4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]butanoic acid?
The canonical SMILES for 4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]butanoic acid is Cc1ncsc1CN(C)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]butanoic acid?
The InChIKey is HXPAXTYVSNJEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S2/c1-8-9(17-7-11-8)6-12(2)18(15,16)5-3-4-10(13)14/h7H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]butanoic acid?
4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]butanoic acid has a molecular weight of 292.38 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]sulfamoyl]butanoic acid is sourced from PubChem (CID 55261145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).