1-ethyl-3-[(2-methylbenzoyl)amino]thiourea

C11H15N3OS — CID 4299886

IUPAC1-ethyl-3-[(2-methylbenzoyl)amino]thiourea
SMILESCCNC(=S)NNC(=O)c1ccccc1C
InChIInChI=1S/C11H15N3OS/c1-3-12-11(16)14-13-10(15)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3,(H,13,15)(H2,12,14,16)
InChIKeySDISVUZRAMTIGC-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.12
Rot. Bonds2

About 1-ethyl-3-[(2-methylbenzoyl)amino]thiourea

1-ethyl-3-[(2-methylbenzoyl)amino]thiourea (PubChem CID 4299886) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 1-ethyl-3-[(2-methylbenzoyl)amino]thiourea.

Molecular Properties

Compound Name1-ethyl-3-[(2-methylbenzoyl)amino]thiourea
PubChem CID4299886
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name1-ethyl-3-[(2-methylbenzoyl)amino]thiourea
SMILESCCNC(=S)NNC(=O)c1ccccc1C
InChIInChI=1S/C11H15N3OS/c1-3-12-11(16)14-13-10(15)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3,(H,13,15)(H2,12,14,16)
InChIKeySDISVUZRAMTIGC-UHFFFAOYSA-N
XLogP1.12
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.12
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

1-methyl-3-[(2-methylbenzoyl)amino]thiourea
CID 2731335
1-N',4-N'-bis(2-methylbenzoyl)butanedihydrazide
CID 4630875
N-[(butanoylamino)carbamothioyl]-2-methylbenzamide
CID 17340131
N-[[(2-methylbenzoyl)amino]carbamothioyl]-4-phenylbenzamide
CID 4659412
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 42908748
1-[(2-fluorobenzoyl)amino]-3-propylthiourea
CID 40654508
N-(hydroxymethyl)-2-methylbenzamide
CID 5234338
N-[4-(ethylcarbamoyl)phenyl]-2-methylbenzamide
CID 17234252
1-[[2-[(4-ethoxyphenyl)sulfonylamino]benzoyl]amino]-3-ethylthiourea
CID 2347505
2-(4-bromo-2-methylphenoxy)-N-[[(2-methylbenzoyl)amino]carbamothioyl]acetamide
CID 3486933
(E)-N-[[(2-methylbenzoyl)amino]carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 6301421
2-(ethylcarbamothioylamino)-N-prop-2-enylbenzamide
CID 4932772

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(2-methylbenzoyl)amino]thiourea?
The IUPAC name of 1-ethyl-3-[(2-methylbenzoyl)amino]thiourea (CID 4299886) is 1-ethyl-3-[(2-methylbenzoyl)amino]thiourea.
What is the SMILES notation for 1-ethyl-3-[(2-methylbenzoyl)amino]thiourea?
The canonical SMILES for 1-ethyl-3-[(2-methylbenzoyl)amino]thiourea is CCNC(=S)NNC(=O)c1ccccc1C.
What is the InChIKey of 1-ethyl-3-[(2-methylbenzoyl)amino]thiourea?
The InChIKey is SDISVUZRAMTIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-3-12-11(16)14-13-10(15)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3,(H,13,15)(H2,12,14,16).
What are the key properties of 1-ethyl-3-[(2-methylbenzoyl)amino]thiourea?
1-ethyl-3-[(2-methylbenzoyl)amino]thiourea has a molecular weight of 237.33 g/mol, XLogP of 1.12, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(2-methylbenzoyl)amino]thiourea is sourced from PubChem (CID 4299886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).