2-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]acetic acid

C7H10N2O4S2 — CID 61043960

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]acetic acid
SMILESCc1csc(CNS(=O)(=O)CC(=O)O)n1
InChIInChI=1S/C7H10N2O4S2/c1-5-3-14-6(9-5)2-8-15(12,13)4-7(10)11/h3,8H,2,4H2,1H3,(H,10,11)
InChIKeyIHBLBDZNORKOGB-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.04
Rot. Bonds5

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

2-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]acetic acid (PubChem CID 61043960) has the molecular formula C7H10N2O4S2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]acetic acid
PubChem CID61043960
Molecular FormulaC7H10N2O4S2
Molecular Weight250.30 g/mol
Exact Mass250.01
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]acetic acid
SMILESCc1csc(CNS(=O)(=O)CC(=O)O)n1
InChIInChI=1S/C7H10N2O4S2/c1-5-3-14-6(9-5)2-8-15(12,13)4-7(10)11/h3,8H,2,4H2,1H3,(H,10,11)
InChIKeyIHBLBDZNORKOGB-UHFFFAOYSA-N
XLogP-0.04
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]phenyl]acetic acid
CID 61043593
4-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 102748450
CID 131842856
CID 131842856
4-fluoro-3-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid
CID 61044081
2-hydroxy-5-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid
CID 61044195
2-[carboxymethyl-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]amino]acetic acid
CID 63644619
2-chloro-4-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid
CID 107089983
3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid
CID 79177671
methyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739075
N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-1-sulfonamide
CID 47240186
4-amino-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 61126624
3,3-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]-5-oxopentanoic acid
CID 62934592

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]acetic acid?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]acetic acid (CID 61043960) is 2-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]acetic acid.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]acetic acid?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]acetic acid is Cc1csc(CNS(=O)(=O)CC(=O)O)n1.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]acetic acid?
The InChIKey is IHBLBDZNORKOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4S2/c1-5-3-14-6(9-5)2-8-15(12,13)4-7(10)11/h3,8H,2,4H2,1H3,(H,10,11).
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]acetic acid?
2-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]acetic acid has a molecular weight of 250.30 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]acetic acid is sourced from PubChem (CID 61043960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).