2-[[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid

C14H21N3O5S2 — CID 119244939

IUPAC2-[[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCC1CCC(NS(=O)(=O)CC(=O)NCc2nc(C(=O)O)cs2)CC1
InChIInChI=1S/C14H21N3O5S2/c1-9-2-4-10(5-3-9)17-24(21,22)8-12(18)15-6-13-16-11(7-23-13)14(19)20/h7,9-10,17H,2-6,8H2,1H3,(H,15,18)(H,19,20)
InChIKeyWHZQTWPUNCFNJQ-UHFFFAOYSA-N
MW375.47 g/mol
LogP0.96
Rot. Bonds7

About 2-[[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid

2-[[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 119244939) has the molecular formula C14H21N3O5S2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-[[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID119244939
Molecular FormulaC14H21N3O5S2
Molecular Weight375.47 g/mol
Exact Mass375.09
IUPAC Name2-[[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCC1CCC(NS(=O)(=O)CC(=O)NCc2nc(C(=O)O)cs2)CC1
InChIInChI=1S/C14H21N3O5S2/c1-9-2-4-10(5-3-9)17-24(21,22)8-12(18)15-6-13-16-11(7-23-13)14(19)20/h7,9-10,17H,2-6,8H2,1H3,(H,15,18)(H,19,20)
InChIKeyWHZQTWPUNCFNJQ-UHFFFAOYSA-N
XLogP0.96
TPSA125.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid with MolForge

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Related Compounds

2-[(cyclopropylsulfamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 114533520
2-[(3-methylsulfonylpropanoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66381246
2-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380513
2-[[[2-[methyl(methylsulfonyl)amino]acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244739
2-[[(2-acetamidoacetyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380091
2-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245167
2-[(cyclobutylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66381336
2-[[(2,2,2-trifluoroacetyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381434
2-[[(2-cyclopentyloxyacetyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244819
2-[(4-methylcyclohexyl)sulfamoyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 154747604
2-[(propylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66380294
2-[(cycloheptanecarbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66380665

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid (CID 119244939) is 2-[[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid is CC1CCC(NS(=O)(=O)CC(=O)NCc2nc(C(=O)O)cs2)CC1.
What is the InChIKey of 2-[[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is WHZQTWPUNCFNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5S2/c1-9-2-4-10(5-3-9)17-24(21,22)8-12(18)15-6-13-16-11(7-23-13)14(19)20/h7,9-10,17H,2-6,8H2,1H3,(H,15,18)(H,19,20).
What are the key properties of 2-[[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
2-[[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 375.47 g/mol, XLogP of 0.96, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 119244939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).