2-[(cyclopropylsulfamoylamino)methyl]-1,3-thiazole-4-carboxylic acid

C8H11N3O4S2 — CID 114533520

IUPAC2-[(cyclopropylsulfamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CNS(=O)(=O)NC2CC2)n1
InChIInChI=1S/C8H11N3O4S2/c12-8(13)6-4-16-7(10-6)3-9-17(14,15)11-5-1-2-5/h4-5,9,11H,1-3H2,(H,12,13)
InChIKeyZUTLKPYAIRLEFD-UHFFFAOYSA-N
MW277.33 g/mol
LogP-0.07
Rot. Bonds6

About 2-[(cyclopropylsulfamoylamino)methyl]-1,3-thiazole-4-carboxylic acid

2-[(cyclopropylsulfamoylamino)methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 114533520) has the molecular formula C8H11N3O4S2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-[(cyclopropylsulfamoylamino)methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(cyclopropylsulfamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID114533520
Molecular FormulaC8H11N3O4S2
Molecular Weight277.33 g/mol
Exact Mass277.02
IUPAC Name2-[(cyclopropylsulfamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CNS(=O)(=O)NC2CC2)n1
InChIInChI=1S/C8H11N3O4S2/c12-8(13)6-4-16-7(10-6)3-9-17(14,15)11-5-1-2-5/h4-5,9,11H,1-3H2,(H,12,13)
InChIKeyZUTLKPYAIRLEFD-UHFFFAOYSA-N
XLogP-0.07
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(cyclopentylsulfonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 105360892
2-[[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244939
2-[(cyclobutylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66381336
2-[(cycloheptanecarbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66380665
2-(cyclohexylsulfamoyl)-1,3-thiazole-4-carboxylic acid
CID 90044718
2-[2-(cyclopentylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylic acid
CID 82154985
2-[2-(propylsulfonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374878
2-[(cyclopent-3-en-1-ylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 113475823
2-[(cyclobutylmethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66379771
2-[(pyridin-3-ylsulfonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66379320
2-[2-(propylsulfamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 114806546
2-[(cyclopent-3-ene-1-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66380657

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylsulfamoylamino)methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(cyclopropylsulfamoylamino)methyl]-1,3-thiazole-4-carboxylic acid (CID 114533520) is 2-[(cyclopropylsulfamoylamino)methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(cyclopropylsulfamoylamino)methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(cyclopropylsulfamoylamino)methyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(CNS(=O)(=O)NC2CC2)n1.
What is the InChIKey of 2-[(cyclopropylsulfamoylamino)methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is ZUTLKPYAIRLEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4S2/c12-8(13)6-4-16-7(10-6)3-9-17(14,15)11-5-1-2-5/h4-5,9,11H,1-3H2,(H,12,13).
What are the key properties of 2-[(cyclopropylsulfamoylamino)methyl]-1,3-thiazole-4-carboxylic acid?
2-[(cyclopropylsulfamoylamino)methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 277.33 g/mol, XLogP of -0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylsulfamoylamino)methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 114533520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).