1-benzamido-3-tert-butylthiourea

C12H17N3OS — CID 2743091

IUPAC1-benzamido-3-tert-butylthiourea
SMILESCC(C)(C)NC(=S)NNC(=O)c1ccccc1
InChIInChI=1S/C12H17N3OS/c1-12(2,3)13-11(17)15-14-10(16)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,14,16)(H2,13,15,17)
InChIKeyFTFGKBPHJXGJQG-UHFFFAOYSA-N
MW251.36 g/mol
LogP1.59
Rot. Bonds1

About 1-benzamido-3-tert-butylthiourea

1-benzamido-3-tert-butylthiourea (PubChem CID 2743091) has the molecular formula C12H17N3OS and a molecular weight of 251.36 g/mol. Its IUPAC name is 1-benzamido-3-tert-butylthiourea.

Molecular Properties

Compound Name1-benzamido-3-tert-butylthiourea
PubChem CID2743091
Molecular FormulaC12H17N3OS
Molecular Weight251.36 g/mol
Exact Mass251.11
IUPAC Name1-benzamido-3-tert-butylthiourea
SMILESCC(C)(C)NC(=S)NNC(=O)c1ccccc1
InChIInChI=1S/C12H17N3OS/c1-12(2,3)13-11(17)15-14-10(16)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,14,16)(H2,13,15,17)
InChIKeyFTFGKBPHJXGJQG-UHFFFAOYSA-N
XLogP1.59
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 51.59
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'}

Analyze 1-benzamido-3-tert-butylthiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butyl-3-[(3-fluorobenzoyl)amino]thiourea
CID 26286150
1-tert-butyl-3-[[4-(methoxymethyl)benzoyl]amino]thiourea
CID 9425628
1-tert-butyl-3-[(3-cyanobenzoyl)amino]thiourea
CID 9425663
1-tert-butyl-3-[[3-(methoxymethyl)benzoyl]amino]thiourea
CID 9425953
1-tert-butyl-3-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]thiourea
CID 9275720
1-tert-butyl-3-[[3-(dimethylsulfamoyl)benzoyl]amino]thiourea
CID 9425452
N-[2-[2-(tert-butylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide
CID 9425692
1-tert-butyl-3-[[4-[methoxy(methyl)sulfamoyl]benzoyl]amino]thiourea
CID 9425920
1-tert-butyl-3-[(4-hexoxybenzoyl)amino]thiourea
CID 9425629
2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methylamino]-N-tert-butylacetamide
CID 8767118
benzamidothiourea
CID 781748
N'-(2-amino-2-methylpropanoyl)benzohydrazide
CID 67519847

Frequently Asked Questions

What is the IUPAC name of 1-benzamido-3-tert-butylthiourea?
The IUPAC name of 1-benzamido-3-tert-butylthiourea (CID 2743091) is 1-benzamido-3-tert-butylthiourea.
What is the SMILES notation for 1-benzamido-3-tert-butylthiourea?
The canonical SMILES for 1-benzamido-3-tert-butylthiourea is CC(C)(C)NC(=S)NNC(=O)c1ccccc1.
What is the InChIKey of 1-benzamido-3-tert-butylthiourea?
The InChIKey is FTFGKBPHJXGJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-12(2,3)13-11(17)15-14-10(16)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,14,16)(H2,13,15,17).
What are the key properties of 1-benzamido-3-tert-butylthiourea?
1-benzamido-3-tert-butylthiourea has a molecular weight of 251.36 g/mol, XLogP of 1.59, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzamido-3-tert-butylthiourea is sourced from PubChem (CID 2743091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).