[(4-methylbenzoyl)amino]thiourea

C9H11N3OS — CID 5273436

IUPAC[(4-methylbenzoyl)amino]thiourea
SMILESCc1ccc(C(=O)NNC(N)=S)cc1
InChIInChI=1S/C9H11N3OS/c1-6-2-4-7(5-3-6)8(13)11-12-9(10)14/h2-5H,1H3,(H,11,13)(H3,10,12,14)
InChIKeyMHLPQMKFPADPHO-UHFFFAOYSA-N
MW209.27 g/mol
LogP0.47
Rot. Bonds1

About [(4-methylbenzoyl)amino]thiourea

[(4-methylbenzoyl)amino]thiourea (PubChem CID 5273436) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is [(4-methylbenzoyl)amino]thiourea.

Molecular Properties

Compound Name[(4-methylbenzoyl)amino]thiourea
PubChem CID5273436
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name[(4-methylbenzoyl)amino]thiourea
SMILESCc1ccc(C(=O)NNC(N)=S)cc1
InChIInChI=1S/C9H11N3OS/c1-6-2-4-7(5-3-6)8(13)11-12-9(10)14/h2-5H,1H3,(H,11,13)(H3,10,12,14)
InChIKeyMHLPQMKFPADPHO-UHFFFAOYSA-N
XLogP0.47
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.47
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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Frequently Asked Questions

What is the IUPAC name of [(4-methylbenzoyl)amino]thiourea?
The IUPAC name of [(4-methylbenzoyl)amino]thiourea (CID 5273436) is [(4-methylbenzoyl)amino]thiourea.
What is the SMILES notation for [(4-methylbenzoyl)amino]thiourea?
The canonical SMILES for [(4-methylbenzoyl)amino]thiourea is Cc1ccc(C(=O)NNC(N)=S)cc1.
What is the InChIKey of [(4-methylbenzoyl)amino]thiourea?
The InChIKey is MHLPQMKFPADPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-6-2-4-7(5-3-6)8(13)11-12-9(10)14/h2-5H,1H3,(H,11,13)(H3,10,12,14).
What are the key properties of [(4-methylbenzoyl)amino]thiourea?
[(4-methylbenzoyl)amino]thiourea has a molecular weight of 209.27 g/mol, XLogP of 0.47, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-methylbenzoyl)amino]thiourea is sourced from PubChem (CID 5273436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).