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

C9H14N4O2S2 — CID 18550636

IUPAC5-(dimethylcarbamoylamino)-3-ethylsulfanyl-1,2-thiazole-4-carboxamide
SMILESCCSc1nsc(NC(=O)N(C)C)c1C(N)=O
InChIInChI=1S/C9H14N4O2S2/c1-4-16-8-5(6(10)14)7(17-12-8)11-9(15)13(2)3/h4H2,1-3H3,(H2,10,14)(H,11,15)
InChIKeyVGFOJFVFHLTSSU-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.45
Rot. Bonds4

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

5-(dimethylcarbamoylamino)-3-ethylsulfanyl-1,2-thiazole-4-carboxamide (PubChem CID 18550636) has the molecular formula C9H14N4O2S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 5-(dimethylcarbamoylamino)-3-ethylsulfanyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(dimethylcarbamoylamino)-3-ethylsulfanyl-1,2-thiazole-4-carboxamide
PubChem CID18550636
Molecular FormulaC9H14N4O2S2
Molecular Weight274.37 g/mol
Exact Mass274.06
IUPAC Name5-(dimethylcarbamoylamino)-3-ethylsulfanyl-1,2-thiazole-4-carboxamide
SMILESCCSc1nsc(NC(=O)N(C)C)c1C(N)=O
InChIInChI=1S/C9H14N4O2S2/c1-4-16-8-5(6(10)14)7(17-12-8)11-9(15)13(2)3/h4H2,1-3H3,(H2,10,14)(H,11,15)
InChIKeyVGFOJFVFHLTSSU-UHFFFAOYSA-N
XLogP1.45
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylcarbamoylamino)-3-ethylsulfanyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 5-(dimethylcarbamoylamino)-3-ethylsulfanyl-1,2-thiazole-4-carboxamide (CID 18550636) is 5-(dimethylcarbamoylamino)-3-ethylsulfanyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 5-(dimethylcarbamoylamino)-3-ethylsulfanyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 5-(dimethylcarbamoylamino)-3-ethylsulfanyl-1,2-thiazole-4-carboxamide is CCSc1nsc(NC(=O)N(C)C)c1C(N)=O.
What is the InChIKey of 5-(dimethylcarbamoylamino)-3-ethylsulfanyl-1,2-thiazole-4-carboxamide?
The InChIKey is VGFOJFVFHLTSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S2/c1-4-16-8-5(6(10)14)7(17-12-8)11-9(15)13(2)3/h4H2,1-3H3,(H2,10,14)(H,11,15).
What are the key properties of 5-(dimethylcarbamoylamino)-3-ethylsulfanyl-1,2-thiazole-4-carboxamide?
5-(dimethylcarbamoylamino)-3-ethylsulfanyl-1,2-thiazole-4-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylcarbamoylamino)-3-ethylsulfanyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 18550636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).