5-(ethylcarbamoylamino)-3-ethylsulfanyl-1,2-thiazole-4-carboxamide

C9H14N4O2S2 — CID 54377306

IUPAC5-(ethylcarbamoylamino)-3-ethylsulfanyl-1,2-thiazole-4-carboxamide
SMILESCCNC(=O)Nc1snc(SCC)c1C(N)=O
InChIInChI=1S/C9H14N4O2S2/c1-3-11-9(15)12-7-5(6(10)14)8(13-17-7)16-4-2/h3-4H2,1-2H3,(H2,10,14)(H2,11,12,15)
InChIKeyUXKZNEUXFAFOQL-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.50
Rot. Bonds5

About 5-(ethylcarbamoylamino)-3-ethylsulfanyl-1,2-thiazole-4-carboxamide

5-(ethylcarbamoylamino)-3-ethylsulfanyl-1,2-thiazole-4-carboxamide (PubChem CID 54377306) has the molecular formula C9H14N4O2S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 5-(ethylcarbamoylamino)-3-ethylsulfanyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(ethylcarbamoylamino)-3-ethylsulfanyl-1,2-thiazole-4-carboxamide
PubChem CID54377306
Molecular FormulaC9H14N4O2S2
Molecular Weight274.37 g/mol
Exact Mass274.06
IUPAC Name5-(ethylcarbamoylamino)-3-ethylsulfanyl-1,2-thiazole-4-carboxamide
SMILESCCNC(=O)Nc1snc(SCC)c1C(N)=O
InChIInChI=1S/C9H14N4O2S2/c1-3-11-9(15)12-7-5(6(10)14)8(13-17-7)16-4-2/h3-4H2,1-2H3,(H2,10,14)(H2,11,12,15)
InChIKeyUXKZNEUXFAFOQL-UHFFFAOYSA-N
XLogP1.50
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylcarbamoylamino)-3-ethylsulfanyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 5-(ethylcarbamoylamino)-3-ethylsulfanyl-1,2-thiazole-4-carboxamide (CID 54377306) is 5-(ethylcarbamoylamino)-3-ethylsulfanyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 5-(ethylcarbamoylamino)-3-ethylsulfanyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 5-(ethylcarbamoylamino)-3-ethylsulfanyl-1,2-thiazole-4-carboxamide is CCNC(=O)Nc1snc(SCC)c1C(N)=O.
What is the InChIKey of 5-(ethylcarbamoylamino)-3-ethylsulfanyl-1,2-thiazole-4-carboxamide?
The InChIKey is UXKZNEUXFAFOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S2/c1-3-11-9(15)12-7-5(6(10)14)8(13-17-7)16-4-2/h3-4H2,1-2H3,(H2,10,14)(H2,11,12,15).
What are the key properties of 5-(ethylcarbamoylamino)-3-ethylsulfanyl-1,2-thiazole-4-carboxamide?
5-(ethylcarbamoylamino)-3-ethylsulfanyl-1,2-thiazole-4-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylcarbamoylamino)-3-ethylsulfanyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 54377306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).