ethyl 2-[[cyclopropyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylate

C19H24N2O4S2 — CID 1198379

IUPACethyl 2-[[cyclopropyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(CN(C2CC2)S(=O)(=O)c2c(C)cc(C)cc2C)n1
InChIInChI=1S/C19H24N2O4S2/c1-5-25-19(22)16-11-26-17(20-16)10-21(15-6-7-15)27(23,24)18-13(3)8-12(2)9-14(18)4/h8-9,11,15H,5-7,10H2,1-4H3
InChIKeyJOJPKTSWNCFASN-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.60
Rot. Bonds7

About ethyl 2-[[cyclopropyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylate

ethyl 2-[[cyclopropyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylate (PubChem CID 1198379) has the molecular formula C19H24N2O4S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is ethyl 2-[[cyclopropyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[cyclopropyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylate
PubChem CID1198379
Molecular FormulaC19H24N2O4S2
Molecular Weight408.55 g/mol
Exact Mass408.12
IUPAC Nameethyl 2-[[cyclopropyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(CN(C2CC2)S(=O)(=O)c2c(C)cc(C)cc2C)n1
InChIInChI=1S/C19H24N2O4S2/c1-5-25-19(22)16-11-26-17(20-16)10-21(15-6-7-15)27(23,24)18-13(3)8-12(2)9-14(18)4/h8-9,11,15H,5-7,10H2,1-4H3
InChIKeyJOJPKTSWNCFASN-UHFFFAOYSA-N
XLogP3.60
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[cyclopropyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[[cyclopropyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylate (CID 1198379) is ethyl 2-[[cyclopropyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[[cyclopropyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[[cyclopropyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(CN(C2CC2)S(=O)(=O)c2c(C)cc(C)cc2C)n1.
What is the InChIKey of ethyl 2-[[cyclopropyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylate?
The InChIKey is JOJPKTSWNCFASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S2/c1-5-25-19(22)16-11-26-17(20-16)10-21(15-6-7-15)27(23,24)18-13(3)8-12(2)9-14(18)4/h8-9,11,15H,5-7,10H2,1-4H3.
What are the key properties of ethyl 2-[[cyclopropyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylate?
ethyl 2-[[cyclopropyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylate has a molecular weight of 408.55 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[cyclopropyl-(2,4,6-trimethylphenyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 1198379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).