ethyl 2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxylate

C8H12N2O4S2 — CID 2989996

IUPACethyl 2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NS(C)(=O)=O)nc1C
InChIInChI=1S/C8H12N2O4S2/c1-4-14-7(11)6-5(2)9-8(15-6)10-16(3,12)13/h4H2,1-3H3,(H,9,10)
InChIKeyGOSNIJDJHSGMRZ-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.00
Rot. Bonds4

About ethyl 2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 2989996) has the molecular formula C8H12N2O4S2 and a molecular weight of 264.33 g/mol. Its IUPAC name is ethyl 2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID2989996
Molecular FormulaC8H12N2O4S2
Molecular Weight264.33 g/mol
Exact Mass264.02
IUPAC Nameethyl 2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NS(C)(=O)=O)nc1C
InChIInChI=1S/C8H12N2O4S2/c1-4-14-7(11)6-5(2)9-8(15-6)10-16(3,12)13/h4H2,1-3H3,(H,9,10)
InChIKeyGOSNIJDJHSGMRZ-UHFFFAOYSA-N
XLogP1.00
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(ethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 897799
ethyl 2-(hydrazinecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 86635202
ethyl 4-methyl-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylate
CID 3663745
2-(methanesulfonamido)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
CID 100772934
ethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
CID 807772
2-(methanesulfonamido)-4-methyl-N-pentan-2-yl-1,3-thiazole-5-carboxamide
CID 133159057
ethyl 2-[(3-amino-2-methylpropanoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 168974660
ethyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 41145800
ethyl 2-(heptanoylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 4072445
ethyl 2-(cyclohexanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 868821
ethyl 2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 15642023
methyl 2-[2-(methanesulfonamido)ethylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80570296

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxylate (CID 2989996) is ethyl 2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NS(C)(=O)=O)nc1C.
What is the InChIKey of ethyl 2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is GOSNIJDJHSGMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4S2/c1-4-14-7(11)6-5(2)9-8(15-6)10-16(3,12)13/h4H2,1-3H3,(H,9,10).
What are the key properties of ethyl 2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 264.33 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 2989996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).