methyl 2-[2-(methanesulfonamido)ethylamino]-1,3-thiazole-4-carboxylate

C8H13N3O4S2 — CID 115423580

IUPACmethyl 2-[2-(methanesulfonamido)ethylamino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(NCCNS(C)(=O)=O)n1
InChIInChI=1S/C8H13N3O4S2/c1-15-7(12)6-5-16-8(11-6)9-3-4-10-17(2,13)14/h5,10H,3-4H2,1-2H3,(H,9,11)
InChIKeySQIOXWSFHBXWGI-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.11
Rot. Bonds6

About methyl 2-[2-(methanesulfonamido)ethylamino]-1,3-thiazole-4-carboxylate

methyl 2-[2-(methanesulfonamido)ethylamino]-1,3-thiazole-4-carboxylate (PubChem CID 115423580) has the molecular formula C8H13N3O4S2 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 2-[2-(methanesulfonamido)ethylamino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(methanesulfonamido)ethylamino]-1,3-thiazole-4-carboxylate
PubChem CID115423580
Molecular FormulaC8H13N3O4S2
Molecular Weight279.34 g/mol
Exact Mass279.03
IUPAC Namemethyl 2-[2-(methanesulfonamido)ethylamino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(NCCNS(C)(=O)=O)n1
InChIInChI=1S/C8H13N3O4S2/c1-15-7(12)6-5-16-8(11-6)9-3-4-10-17(2,13)14/h5,10H,3-4H2,1-2H3,(H,9,11)
InChIKeySQIOXWSFHBXWGI-UHFFFAOYSA-N
XLogP-0.11
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-acetamido-1,3-thiazole-4-carboxylate
CID 702548
Ethyl 2-[(2-morpholin-4-ylacetyl)amino]-1,3-thiazole-4-carboxylate
CID 396823
Ethyl 2-[(prop-2-en-1-yl)amino]-1,3-thiazole-4-carboxylate
CID 7171906
4-Thiazolecarboxylic acid, 2-(ethylamino)-, ethyl ester
CID 15053541
Ethyl 2-(methylamino)-1,3-thiazole-4-carboxylate
CID 19611072
Ethyl 2-(cyclopropylamino)-1,3-thiazole-4-carboxylate
CID 15053551
Ethyl 2-(butylamino)-1,3-thiazole-4-carboxylate
CID 78907486
Ethyl 2-(2-aminoethylamino)-1,3-thiazole-4-carboxylate
CID 121658917
Ethyl 2-(2-(acetylthio)acetamido)thiazole-4-carboxylate
CID 16949115
Ethyl 2-(1-(methylsulfonyl)pyrrolidine-2-carboxamido)thiazole-4-carboxylate
CID 44116381
Ethyl 2-[[2-(dimethylamino)acetyl]amino]-1,3-thiazole-4-carboxylate
CID 396820
Propyl 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605335

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(methanesulfonamido)ethylamino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[2-(methanesulfonamido)ethylamino]-1,3-thiazole-4-carboxylate (CID 115423580) is methyl 2-[2-(methanesulfonamido)ethylamino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[2-(methanesulfonamido)ethylamino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[2-(methanesulfonamido)ethylamino]-1,3-thiazole-4-carboxylate is COC(=O)c1csc(NCCNS(C)(=O)=O)n1.
What is the InChIKey of methyl 2-[2-(methanesulfonamido)ethylamino]-1,3-thiazole-4-carboxylate?
The InChIKey is SQIOXWSFHBXWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4S2/c1-15-7(12)6-5-16-8(11-6)9-3-4-10-17(2,13)14/h5,10H,3-4H2,1-2H3,(H,9,11).
What are the key properties of methyl 2-[2-(methanesulfonamido)ethylamino]-1,3-thiazole-4-carboxylate?
methyl 2-[2-(methanesulfonamido)ethylamino]-1,3-thiazole-4-carboxylate has a molecular weight of 279.34 g/mol, XLogP of -0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(methanesulfonamido)ethylamino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 115423580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).