5-(methylcarbamoylamino)-3-methylsulfanyl-1,2-thiazole-4-carboxamide

C7H10N4O2S2 — CID 18550870

IUPAC5-(methylcarbamoylamino)-3-methylsulfanyl-1,2-thiazole-4-carboxamide
SMILESCNC(=O)Nc1snc(SC)c1C(N)=O
InChIInChI=1S/C7H10N4O2S2/c1-9-7(13)10-5-3(4(8)12)6(14-2)11-15-5/h1-2H3,(H2,8,12)(H2,9,10,13)
InChIKeyWJMRRSQFRXEXHM-UHFFFAOYSA-N
MW246.32 g/mol
LogP0.72
Rot. Bonds3

About 5-(methylcarbamoylamino)-3-methylsulfanyl-1,2-thiazole-4-carboxamide

5-(methylcarbamoylamino)-3-methylsulfanyl-1,2-thiazole-4-carboxamide (PubChem CID 18550870) has the molecular formula C7H10N4O2S2 and a molecular weight of 246.32 g/mol. Its IUPAC name is 5-(methylcarbamoylamino)-3-methylsulfanyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-(methylcarbamoylamino)-3-methylsulfanyl-1,2-thiazole-4-carboxamide
PubChem CID18550870
Molecular FormulaC7H10N4O2S2
Molecular Weight246.32 g/mol
Exact Mass246.02
IUPAC Name5-(methylcarbamoylamino)-3-methylsulfanyl-1,2-thiazole-4-carboxamide
SMILESCNC(=O)Nc1snc(SC)c1C(N)=O
InChIInChI=1S/C7H10N4O2S2/c1-9-7(13)10-5-3(4(8)12)6(14-2)11-15-5/h1-2H3,(H2,8,12)(H2,9,10,13)
InChIKeyWJMRRSQFRXEXHM-UHFFFAOYSA-N
XLogP0.72
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(methylcarbamoylamino)-3-methylsulfanyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 5-(methylcarbamoylamino)-3-methylsulfanyl-1,2-thiazole-4-carboxamide (CID 18550870) is 5-(methylcarbamoylamino)-3-methylsulfanyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 5-(methylcarbamoylamino)-3-methylsulfanyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 5-(methylcarbamoylamino)-3-methylsulfanyl-1,2-thiazole-4-carboxamide is CNC(=O)Nc1snc(SC)c1C(N)=O.
What is the InChIKey of 5-(methylcarbamoylamino)-3-methylsulfanyl-1,2-thiazole-4-carboxamide?
The InChIKey is WJMRRSQFRXEXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2S2/c1-9-7(13)10-5-3(4(8)12)6(14-2)11-15-5/h1-2H3,(H2,8,12)(H2,9,10,13).
What are the key properties of 5-(methylcarbamoylamino)-3-methylsulfanyl-1,2-thiazole-4-carboxamide?
5-(methylcarbamoylamino)-3-methylsulfanyl-1,2-thiazole-4-carboxamide has a molecular weight of 246.32 g/mol, XLogP of 0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylcarbamoylamino)-3-methylsulfanyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 18550870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).