1-[5-(2-methoxyethyl)-4-methylthiophen-2-yl]sulfonyl-3-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)urea

C14H19N3O4S4 — CID 46224868

IUPAC1-[5-(2-methoxyethyl)-4-methylthiophen-2-yl]sulfonyl-3-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)urea
SMILESCOCCc1sc(S(=O)(=O)NC(=O)Nc2nc(C)c(SC)s2)cc1C
InChIInChI=1S/C14H19N3O4S4/c1-8-7-11(23-10(8)5-6-21-3)25(19,20)17-13(18)16-14-15-9(2)12(22-4)24-14/h7H,5-6H2,1-4H3,(H2,15,16,17,18)
InChIKeyLEQXJKNARKRTBG-UHFFFAOYSA-N
MW421.59 g/mol
LogP3.24
Rot. Bonds7

About 1-[5-(2-methoxyethyl)-4-methylthiophen-2-yl]sulfonyl-3-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)urea

1-[5-(2-methoxyethyl)-4-methylthiophen-2-yl]sulfonyl-3-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)urea (PubChem CID 46224868) has the molecular formula C14H19N3O4S4 and a molecular weight of 421.59 g/mol. Its IUPAC name is 1-[5-(2-methoxyethyl)-4-methylthiophen-2-yl]sulfonyl-3-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[5-(2-methoxyethyl)-4-methylthiophen-2-yl]sulfonyl-3-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)urea
PubChem CID46224868
Molecular FormulaC14H19N3O4S4
Molecular Weight421.59 g/mol
Exact Mass421.03
IUPAC Name1-[5-(2-methoxyethyl)-4-methylthiophen-2-yl]sulfonyl-3-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)urea
SMILESCOCCc1sc(S(=O)(=O)NC(=O)Nc2nc(C)c(SC)s2)cc1C
InChIInChI=1S/C14H19N3O4S4/c1-8-7-11(23-10(8)5-6-21-3)25(19,20)17-13(18)16-14-15-9(2)12(22-4)24-14/h7H,5-6H2,1-4H3,(H2,15,16,17,18)
InChIKeyLEQXJKNARKRTBG-UHFFFAOYSA-N
XLogP3.24
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methoxyethyl)-4-methylthiophen-2-yl]sulfonyl-3-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[5-(2-methoxyethyl)-4-methylthiophen-2-yl]sulfonyl-3-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)urea (CID 46224868) is 1-[5-(2-methoxyethyl)-4-methylthiophen-2-yl]sulfonyl-3-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[5-(2-methoxyethyl)-4-methylthiophen-2-yl]sulfonyl-3-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[5-(2-methoxyethyl)-4-methylthiophen-2-yl]sulfonyl-3-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)urea is COCCc1sc(S(=O)(=O)NC(=O)Nc2nc(C)c(SC)s2)cc1C.
What is the InChIKey of 1-[5-(2-methoxyethyl)-4-methylthiophen-2-yl]sulfonyl-3-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)urea?
The InChIKey is LEQXJKNARKRTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S4/c1-8-7-11(23-10(8)5-6-21-3)25(19,20)17-13(18)16-14-15-9(2)12(22-4)24-14/h7H,5-6H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 1-[5-(2-methoxyethyl)-4-methylthiophen-2-yl]sulfonyl-3-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)urea?
1-[5-(2-methoxyethyl)-4-methylthiophen-2-yl]sulfonyl-3-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)urea has a molecular weight of 421.59 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methoxyethyl)-4-methylthiophen-2-yl]sulfonyl-3-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 46224868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).