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

C7H10N4OS2 — CID 2744061

IUPAC1-methyl-3-[(2-methyl-1,3-thiazole-4-carbonyl)amino]thiourea
SMILESCNC(=S)NNC(=O)c1csc(C)n1
InChIInChI=1S/C7H10N4OS2/c1-4-9-5(3-14-4)6(12)10-11-7(13)8-2/h3H,1-2H3,(H,10,12)(H2,8,11,13)
InChIKeyWLSKPXPIKXUVEP-UHFFFAOYSA-N
MW230.32 g/mol
LogP0.19
Rot. Bonds1

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

1-methyl-3-[(2-methyl-1,3-thiazole-4-carbonyl)amino]thiourea (PubChem CID 2744061) has the molecular formula C7H10N4OS2 and a molecular weight of 230.32 g/mol. Its IUPAC name is 1-methyl-3-[(2-methyl-1,3-thiazole-4-carbonyl)amino]thiourea.

Molecular Properties

Compound Name1-methyl-3-[(2-methyl-1,3-thiazole-4-carbonyl)amino]thiourea
PubChem CID2744061
Molecular FormulaC7H10N4OS2
Molecular Weight230.32 g/mol
Exact Mass230.03
IUPAC Name1-methyl-3-[(2-methyl-1,3-thiazole-4-carbonyl)amino]thiourea
SMILESCNC(=S)NNC(=O)c1csc(C)n1
InChIInChI=1S/C7H10N4OS2/c1-4-9-5(3-14-4)6(12)10-11-7(13)8-2/h3H,1-2H3,(H,10,12)(H2,8,11,13)
InChIKeyWLSKPXPIKXUVEP-UHFFFAOYSA-N
XLogP0.19
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.32
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-methyl-3-[(2-methyl-1,3-thiazole-4-carbonyl)amino]thiourea?
The IUPAC name of 1-methyl-3-[(2-methyl-1,3-thiazole-4-carbonyl)amino]thiourea (CID 2744061) is 1-methyl-3-[(2-methyl-1,3-thiazole-4-carbonyl)amino]thiourea.
What is the SMILES notation for 1-methyl-3-[(2-methyl-1,3-thiazole-4-carbonyl)amino]thiourea?
The canonical SMILES for 1-methyl-3-[(2-methyl-1,3-thiazole-4-carbonyl)amino]thiourea is CNC(=S)NNC(=O)c1csc(C)n1.
What is the InChIKey of 1-methyl-3-[(2-methyl-1,3-thiazole-4-carbonyl)amino]thiourea?
The InChIKey is WLSKPXPIKXUVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4OS2/c1-4-9-5(3-14-4)6(12)10-11-7(13)8-2/h3H,1-2H3,(H,10,12)(H2,8,11,13).
What are the key properties of 1-methyl-3-[(2-methyl-1,3-thiazole-4-carbonyl)amino]thiourea?
1-methyl-3-[(2-methyl-1,3-thiazole-4-carbonyl)amino]thiourea has a molecular weight of 230.32 g/mol, XLogP of 0.19, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2-methyl-1,3-thiazole-4-carbonyl)amino]thiourea is sourced from PubChem (CID 2744061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).