methyl 5-[2-aminoethyl(2-phenylethyl)sulfamoyl]-1,3-thiazole-4-carboxylate

C15H19N3O4S2 — CID 120877148

IUPACmethyl 5-[2-aminoethyl(2-phenylethyl)sulfamoyl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1ncsc1S(=O)(=O)N(CCN)CCc1ccccc1
InChIInChI=1S/C15H19N3O4S2/c1-22-14(19)13-15(23-11-17-13)24(20,21)18(10-8-16)9-7-12-5-3-2-4-6-12/h2-6,11H,7-10,16H2,1H3
InChIKeyQYOWRPWQUITYJY-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.12
Rot. Bonds8

About methyl 5-[2-aminoethyl(2-phenylethyl)sulfamoyl]-1,3-thiazole-4-carboxylate

methyl 5-[2-aminoethyl(2-phenylethyl)sulfamoyl]-1,3-thiazole-4-carboxylate (PubChem CID 120877148) has the molecular formula C15H19N3O4S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is methyl 5-[2-aminoethyl(2-phenylethyl)sulfamoyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-aminoethyl(2-phenylethyl)sulfamoyl]-1,3-thiazole-4-carboxylate
PubChem CID120877148
Molecular FormulaC15H19N3O4S2
Molecular Weight369.47 g/mol
Exact Mass369.08
IUPAC Namemethyl 5-[2-aminoethyl(2-phenylethyl)sulfamoyl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1ncsc1S(=O)(=O)N(CCN)CCc1ccccc1
InChIInChI=1S/C15H19N3O4S2/c1-22-14(19)13-15(23-11-17-13)24(20,21)18(10-8-16)9-7-12-5-3-2-4-6-12/h2-6,11H,7-10,16H2,1H3
InChIKeyQYOWRPWQUITYJY-UHFFFAOYSA-N
XLogP1.12
TPSA102.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-[2-aminoethyl(2-phenylethyl)sulfamoyl]pyridine-2-carboxylate
CID 120895258
methyl 2-[2-aminoethyl(2-phenylethyl)sulfamoyl]-4-fluorobenzoate
CID 120895887
methyl 2-[2-aminoethyl(2-phenylethyl)sulfamoyl]-4-fluorobenzoate;hydrochloride
CID 120895886
methyl 2-[2-aminoethyl(2-phenylethyl)sulfamoyl]-5-fluorobenzoate
CID 120895566
methyl 3-[2-aminoethyl(2-phenylethyl)sulfamoyl]-4,5-dimethylbenzoate
CID 120895879
methyl 3-[2-aminoethyl(2-phenylethyl)sulfamoyl]-5-chlorobenzoate;hydrochloride
CID 120895713
N-(2-aminoethyl)-2,4-dimethyl-N-(2-phenylethyl)-1,3-thiazole-5-sulfonamide
CID 120895810
N-(2-aminoethyl)-4-(methoxymethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895906
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895597
N-(2-aminoethyl)-N-(2-phenylethyl)ethanesulfonamide
CID 120895596
methyl 5-benzyl-1,3-thiazole-4-carboxylate
CID 86069782
methyl 5-[(4-hydroxyphenyl)-methylsulfamoyl]-1,3-thiazole-4-carboxylate
CID 107734039

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-aminoethyl(2-phenylethyl)sulfamoyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-[2-aminoethyl(2-phenylethyl)sulfamoyl]-1,3-thiazole-4-carboxylate (CID 120877148) is methyl 5-[2-aminoethyl(2-phenylethyl)sulfamoyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-[2-aminoethyl(2-phenylethyl)sulfamoyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-[2-aminoethyl(2-phenylethyl)sulfamoyl]-1,3-thiazole-4-carboxylate is COC(=O)c1ncsc1S(=O)(=O)N(CCN)CCc1ccccc1.
What is the InChIKey of methyl 5-[2-aminoethyl(2-phenylethyl)sulfamoyl]-1,3-thiazole-4-carboxylate?
The InChIKey is QYOWRPWQUITYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S2/c1-22-14(19)13-15(23-11-17-13)24(20,21)18(10-8-16)9-7-12-5-3-2-4-6-12/h2-6,11H,7-10,16H2,1H3.
What are the key properties of methyl 5-[2-aminoethyl(2-phenylethyl)sulfamoyl]-1,3-thiazole-4-carboxylate?
methyl 5-[2-aminoethyl(2-phenylethyl)sulfamoyl]-1,3-thiazole-4-carboxylate has a molecular weight of 369.47 g/mol, XLogP of 1.12, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-aminoethyl(2-phenylethyl)sulfamoyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 120877148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).