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

C8H12N4O2S2 — CID 18550614

IUPAC3-ethylsulfanyl-5-(methylcarbamoylamino)-1,2-thiazole-4-carboxamide
SMILESCCSc1nsc(NC(=O)NC)c1C(N)=O
InChIInChI=1S/C8H12N4O2S2/c1-3-15-7-4(5(9)13)6(16-12-7)11-8(14)10-2/h3H2,1-2H3,(H2,9,13)(H2,10,11,14)
InChIKeyZTRVIVBIICNQCM-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.11
Rot. Bonds4

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

3-ethylsulfanyl-5-(methylcarbamoylamino)-1,2-thiazole-4-carboxamide (PubChem CID 18550614) has the molecular formula C8H12N4O2S2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-ethylsulfanyl-5-(methylcarbamoylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-ethylsulfanyl-5-(methylcarbamoylamino)-1,2-thiazole-4-carboxamide
PubChem CID18550614
Molecular FormulaC8H12N4O2S2
Molecular Weight260.34 g/mol
Exact Mass260.04
IUPAC Name3-ethylsulfanyl-5-(methylcarbamoylamino)-1,2-thiazole-4-carboxamide
SMILESCCSc1nsc(NC(=O)NC)c1C(N)=O
InChIInChI=1S/C8H12N4O2S2/c1-3-15-7-4(5(9)13)6(16-12-7)11-8(14)10-2/h3H2,1-2H3,(H2,9,13)(H2,10,11,14)
InChIKeyZTRVIVBIICNQCM-UHFFFAOYSA-N
XLogP1.11
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-5-(methylcarbamoylamino)-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-ethylsulfanyl-5-(methylcarbamoylamino)-1,2-thiazole-4-carboxamide (CID 18550614) is 3-ethylsulfanyl-5-(methylcarbamoylamino)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-ethylsulfanyl-5-(methylcarbamoylamino)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-ethylsulfanyl-5-(methylcarbamoylamino)-1,2-thiazole-4-carboxamide is CCSc1nsc(NC(=O)NC)c1C(N)=O.
What is the InChIKey of 3-ethylsulfanyl-5-(methylcarbamoylamino)-1,2-thiazole-4-carboxamide?
The InChIKey is ZTRVIVBIICNQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S2/c1-3-15-7-4(5(9)13)6(16-12-7)11-8(14)10-2/h3H2,1-2H3,(H2,9,13)(H2,10,11,14).
What are the key properties of 3-ethylsulfanyl-5-(methylcarbamoylamino)-1,2-thiazole-4-carboxamide?
3-ethylsulfanyl-5-(methylcarbamoylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-5-(methylcarbamoylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 18550614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).