methyl 5-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-1,3-thiazole-4-carboxylate;hydrochloride

C10H18ClN3O4S2 — CID 120875849

IUPACmethyl 5-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-1,3-thiazole-4-carboxylate;hydrochloride
SMILESCCN[C@H](C)CNS(=O)(=O)c1scnc1C(=O)OC.Cl
InChIInChI=1S/C10H17N3O4S2.ClH/c1-4-11-7(2)5-13-19(15,16)10-8(9(14)17-3)12-6-18-10;/h6-7,11,13H,4-5H2,1-3H3;1H/t7-;/m1./s1
InChIKeyAJHNQIIDDYBUOS-OGFXRTJISA-N
MW343.86 g/mol
LogP0.63
Rot. Bonds7

About methyl 5-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-1,3-thiazole-4-carboxylate;hydrochloride

methyl 5-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-1,3-thiazole-4-carboxylate;hydrochloride (PubChem CID 120875849) has the molecular formula C10H18ClN3O4S2 and a molecular weight of 343.86 g/mol. Its IUPAC name is methyl 5-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-1,3-thiazole-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-1,3-thiazole-4-carboxylate;hydrochloride
PubChem CID120875849
Molecular FormulaC10H18ClN3O4S2
Molecular Weight343.86 g/mol
Exact Mass343.04
IUPAC Namemethyl 5-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-1,3-thiazole-4-carboxylate;hydrochloride
SMILESCCN[C@H](C)CNS(=O)(=O)c1scnc1C(=O)OC.Cl
InChIInChI=1S/C10H17N3O4S2.ClH/c1-4-11-7(2)5-13-19(15,16)10-8(9(14)17-3)12-6-18-10;/h6-7,11,13H,4-5H2,1-3H3;1H/t7-;/m1./s1
InChIKeyAJHNQIIDDYBUOS-OGFXRTJISA-N
XLogP0.63
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 5-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-1,3-thiazole-4-carboxylate;hydrochloride with MolForge

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Related Compounds

methyl 5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1,3-thiazole-4-carboxylate
CID 113391949
methyl 5-[(2-ethoxy-2-methylpropyl)sulfamoyl]-1,3-thiazole-4-carboxylate
CID 114940685
methyl 5-chlorosulfonyl-1,3-thiazole-4-carboxylate
CID 15077125
methyl 5-(6-hydroxyhexylsulfamoyl)-1,3-thiazole-4-carboxylate
CID 104773163
methyl 5-(2-methylsulfinylethylsulfamoyl)-1,3-thiazole-4-carboxylate
CID 113451632
methyl 5-(1,3-thiazol-5-ylmethylsulfamoyl)-1,3-thiazole-4-carboxylate
CID 113451668
5-[[(2S)-2-hydroxypropyl]sulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 107216109
methyl 4-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-5-methylfuran-2-carboxylate
CID 120664764
methyl 4-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-2,5-dimethylfuran-3-carboxylate
CID 120875856
methyl 5-[1-(5-methyl-1,3-oxazol-2-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylate
CID 104773168
N-[(2R)-2-(ethylamino)propyl]-2-methyl-1,3-thiazole-5-sulfonamide;hydrochloride
CID 120664525
methyl 5-[(3-methoxycyclobutyl)sulfamoyl]-1,3-thiazole-4-carboxylate
CID 113451667

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-1,3-thiazole-4-carboxylate;hydrochloride?
The IUPAC name of methyl 5-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-1,3-thiazole-4-carboxylate;hydrochloride (CID 120875849) is methyl 5-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-1,3-thiazole-4-carboxylate;hydrochloride.
What is the SMILES notation for methyl 5-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-1,3-thiazole-4-carboxylate;hydrochloride?
The canonical SMILES for methyl 5-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-1,3-thiazole-4-carboxylate;hydrochloride is CCN[C@H](C)CNS(=O)(=O)c1scnc1C(=O)OC.Cl.
What is the InChIKey of methyl 5-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-1,3-thiazole-4-carboxylate;hydrochloride?
The InChIKey is AJHNQIIDDYBUOS-OGFXRTJISA-N. The full InChI is InChI=1S/C10H17N3O4S2.ClH/c1-4-11-7(2)5-13-19(15,16)10-8(9(14)17-3)12-6-18-10;/h6-7,11,13H,4-5H2,1-3H3;1H/t7-;/m1./s1.
What are the key properties of methyl 5-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-1,3-thiazole-4-carboxylate;hydrochloride?
methyl 5-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-1,3-thiazole-4-carboxylate;hydrochloride has a molecular weight of 343.86 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-1,3-thiazole-4-carboxylate;hydrochloride is sourced from PubChem (CID 120875849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).