1-ethyl-3-[(3-ethyl-4-methyl-2-sulfanylidene-1,3-thiazole-5-carbonyl)amino]thiourea

C10H16N4OS3 — CID 139215876

IUPAC1-ethyl-3-[(3-ethyl-4-methyl-2-sulfanylidene-1,3-thiazole-5-carbonyl)amino]thiourea
SMILESCCNC(=S)NNC(=O)c1sc(=S)n(CC)c1C
InChIInChI=1S/C10H16N4OS3/c1-4-11-9(16)13-12-8(15)7-6(3)14(5-2)10(17)18-7/h4-5H2,1-3H3,(H,12,15)(H2,11,13,16)
InChIKeyWYZSHRGIOSSWHI-UHFFFAOYSA-N
MW304.47 g/mol
LogP1.74
Rot. Bonds3

About 1-ethyl-3-[(3-ethyl-4-methyl-2-sulfanylidene-1,3-thiazole-5-carbonyl)amino]thiourea

1-ethyl-3-[(3-ethyl-4-methyl-2-sulfanylidene-1,3-thiazole-5-carbonyl)amino]thiourea (PubChem CID 139215876) has the molecular formula C10H16N4OS3 and a molecular weight of 304.47 g/mol. Its IUPAC name is 1-ethyl-3-[(3-ethyl-4-methyl-2-sulfanylidene-1,3-thiazole-5-carbonyl)amino]thiourea.

Molecular Properties

Compound Name1-ethyl-3-[(3-ethyl-4-methyl-2-sulfanylidene-1,3-thiazole-5-carbonyl)amino]thiourea
PubChem CID139215876
Molecular FormulaC10H16N4OS3
Molecular Weight304.47 g/mol
Exact Mass304.05
IUPAC Name1-ethyl-3-[(3-ethyl-4-methyl-2-sulfanylidene-1,3-thiazole-5-carbonyl)amino]thiourea
SMILESCCNC(=S)NNC(=O)c1sc(=S)n(CC)c1C
InChIInChI=1S/C10H16N4OS3/c1-4-11-9(16)13-12-8(15)7-6(3)14(5-2)10(17)18-7/h4-5H2,1-3H3,(H,12,15)(H2,11,13,16)
InChIKeyWYZSHRGIOSSWHI-UHFFFAOYSA-N
XLogP1.74
TPSA58.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(3-ethyl-4-methyl-2-sulfanylidene-1,3-thiazole-5-carbonyl)amino]thiourea?
The IUPAC name of 1-ethyl-3-[(3-ethyl-4-methyl-2-sulfanylidene-1,3-thiazole-5-carbonyl)amino]thiourea (CID 139215876) is 1-ethyl-3-[(3-ethyl-4-methyl-2-sulfanylidene-1,3-thiazole-5-carbonyl)amino]thiourea.
What is the SMILES notation for 1-ethyl-3-[(3-ethyl-4-methyl-2-sulfanylidene-1,3-thiazole-5-carbonyl)amino]thiourea?
The canonical SMILES for 1-ethyl-3-[(3-ethyl-4-methyl-2-sulfanylidene-1,3-thiazole-5-carbonyl)amino]thiourea is CCNC(=S)NNC(=O)c1sc(=S)n(CC)c1C.
What is the InChIKey of 1-ethyl-3-[(3-ethyl-4-methyl-2-sulfanylidene-1,3-thiazole-5-carbonyl)amino]thiourea?
The InChIKey is WYZSHRGIOSSWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS3/c1-4-11-9(16)13-12-8(15)7-6(3)14(5-2)10(17)18-7/h4-5H2,1-3H3,(H,12,15)(H2,11,13,16).
What are the key properties of 1-ethyl-3-[(3-ethyl-4-methyl-2-sulfanylidene-1,3-thiazole-5-carbonyl)amino]thiourea?
1-ethyl-3-[(3-ethyl-4-methyl-2-sulfanylidene-1,3-thiazole-5-carbonyl)amino]thiourea has a molecular weight of 304.47 g/mol, XLogP of 1.74, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(3-ethyl-4-methyl-2-sulfanylidene-1,3-thiazole-5-carbonyl)amino]thiourea is sourced from PubChem (CID 139215876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).