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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Related Compounds

3-ethylsulfanyl-5-(methylcarbamoylamino)-1,2-thiazole-4-carboxamide
CID 18550614
5-(ethylcarbamoylamino)-3-pentylsulfanyl-1,2-thiazole-4-carboxylic acid
CID 18550839
3-hexylsulfanyl-5-(2-hydroxypropylcarbamoylamino)-1,2-thiazole-4-carboxamide
CID 54426527
5-(ethylcarbamoylamino)-3-(2-methylpentan-2-yl)-1,2-thiazole-4-carboxamide
CID 134086668
5-[(5-methylfuran-2-yl)methylcarbamoylamino]-3-pentylsulfanyl-1,2-thiazole-4-carboxamide
CID 68510966
5-(furan-2-ylmethylcarbamoylamino)-3-hexylsulfanyl-1,2-thiazole-4-carboxamide
CID 54305183
5-(methylcarbamoylamino)-3-propan-2-ylsulfanyl-1,2-thiazole-4-carboxamide
CID 18550161
5-(cyclopropylmethylcarbamoylamino)-3-[(3,4-dimethylphenyl)methylsulfanyl]-1,2-thiazole-4-carboxamide
CID 54255455
5-[(3,4-difluorophenyl)methylcarbamoylamino]-3-[(4-methylphenyl)methylsulfanyl]-1,2-thiazole-4-carboxamide
CID 54406706
5-[(3,4-difluorophenyl)methylcarbamoylamino]-3-[(5-methylthiophen-2-yl)methylsulfanyl]-1,2-thiazole-4-carboxamide
CID 54422132
5-(dimethylcarbamoylamino)-3-(4-methylpentylsulfanyl)-1,2-thiazole-4-carboxamide
CID 54260790
3-benzylsulfanyl-5-(3-pyrrolidin-1-ylpropylcarbamoylamino)-1,2-thiazole-4-carboxamide
CID 54309791

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).