[(3,5-dimethylbenzoyl)amino]thiourea

C10H13N3OS — CID 14091240

IUPAC[(3,5-dimethylbenzoyl)amino]thiourea
SMILESCc1cc(C)cc(C(=O)NNC(N)=S)c1
InChIInChI=1S/C10H13N3OS/c1-6-3-7(2)5-8(4-6)9(14)12-13-10(11)15/h3-5H,1-2H3,(H,12,14)(H3,11,13,15)
InChIKeyNXCAGJLYSMGTCC-UHFFFAOYSA-N
MW223.30 g/mol
LogP0.78
Rot. Bonds1

About [(3,5-dimethylbenzoyl)amino]thiourea

[(3,5-dimethylbenzoyl)amino]thiourea (PubChem CID 14091240) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is [(3,5-dimethylbenzoyl)amino]thiourea.

Molecular Properties

Compound Name[(3,5-dimethylbenzoyl)amino]thiourea
PubChem CID14091240
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name[(3,5-dimethylbenzoyl)amino]thiourea
SMILESCc1cc(C)cc(C(=O)NNC(N)=S)c1
InChIInChI=1S/C10H13N3OS/c1-6-3-7(2)5-8(4-6)9(14)12-13-10(11)15/h3-5H,1-2H3,(H,12,14)(H3,11,13,15)
InChIKeyNXCAGJLYSMGTCC-UHFFFAOYSA-N
XLogP0.78
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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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Related Compounds

[[3,5-bis(trifluoromethyl)benzoyl]amino]thiourea
CID 2743161
N-(3-amino-3-sulfanylidenepropyl)-3,5-dimethylbenzamide
CID 62667254
benzamidothiourea
CID 781748
(3,5-dimethylanilino)thiourea
CID 82281947
N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide
CID 70240593
N,3,5-trimethylbenzamide;hydrochloride
CID 139561221
N-(3-carbamothioylphenyl)-3,5-dimethylbenzamide
CID 24707336
[(6-bromonaphthalene-2-carbonyl)amino]thiourea
CID 113292814
N'-(3,5-dimethylbenzoyl)-1-methylpyrrole-2-carbohydrazide
CID 17426087
(E)-2,3-bis(3,5-dimethylphenyl)but-2-enediamide
CID 174720446
(1,3-dihydro-2-benzofuran-5-carbonylamino)thiourea
CID 65216975
[(3-methylthiophene-2-carbonyl)amino]thiourea
CID 65214886

Frequently Asked Questions

What is the IUPAC name of [(3,5-dimethylbenzoyl)amino]thiourea?
The IUPAC name of [(3,5-dimethylbenzoyl)amino]thiourea (CID 14091240) is [(3,5-dimethylbenzoyl)amino]thiourea.
What is the SMILES notation for [(3,5-dimethylbenzoyl)amino]thiourea?
The canonical SMILES for [(3,5-dimethylbenzoyl)amino]thiourea is Cc1cc(C)cc(C(=O)NNC(N)=S)c1.
What is the InChIKey of [(3,5-dimethylbenzoyl)amino]thiourea?
The InChIKey is NXCAGJLYSMGTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-6-3-7(2)5-8(4-6)9(14)12-13-10(11)15/h3-5H,1-2H3,(H,12,14)(H3,11,13,15).
What are the key properties of [(3,5-dimethylbenzoyl)amino]thiourea?
[(3,5-dimethylbenzoyl)amino]thiourea has a molecular weight of 223.30 g/mol, XLogP of 0.78, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3,5-dimethylbenzoyl)amino]thiourea is sourced from PubChem (CID 14091240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).