1-[(4-fluorobenzoyl)amino]-3-propylthiourea

C11H14FN3OS — CID 10611037

IUPAC1-[(4-fluorobenzoyl)amino]-3-propylthiourea
SMILESCCCNC(=S)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C11H14FN3OS/c1-2-7-13-11(17)15-14-10(16)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3,(H,14,16)(H2,13,15,17)
InChIKeyBGPUOMOTZFDSBR-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.34
Rot. Bonds3

About 1-[(4-fluorobenzoyl)amino]-3-propylthiourea

1-[(4-fluorobenzoyl)amino]-3-propylthiourea (PubChem CID 10611037) has the molecular formula C11H14FN3OS and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[(4-fluorobenzoyl)amino]-3-propylthiourea.

Molecular Properties

Compound Name1-[(4-fluorobenzoyl)amino]-3-propylthiourea
PubChem CID10611037
Molecular FormulaC11H14FN3OS
Molecular Weight255.32 g/mol
Exact Mass255.08
IUPAC Name1-[(4-fluorobenzoyl)amino]-3-propylthiourea
SMILESCCCNC(=S)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C11H14FN3OS/c1-2-7-13-11(17)15-14-10(16)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3,(H,14,16)(H2,13,15,17)
InChIKeyBGPUOMOTZFDSBR-UHFFFAOYSA-N
XLogP1.34
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.34
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-[(2-fluorobenzoyl)amino]-3-propylthiourea
CID 40654508
4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042913
1-[(4-fluorobenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 8657307
1-[(3,5-dinitrobenzoyl)amino]-3-propylthiourea
CID 171395593
N-[2-(tert-butylcarbamothioylamino)ethyl]-4-fluorobenzamide
CID 47510244
1-[2-(4-fluorophenyl)ethyl]-3-propylthiourea
CID 19649747
N-[2-[(4-ethylphenyl)carbamothioylamino]ethyl]-4-fluorobenzamide
CID 47510248
1-N,4-N-bis[(E)-1-(4-fluorophenyl)-3-oxo-3-(propylamino)prop-1-en-2-yl]benzene-1,4-dicarboxamide
CID 175665274
methyl 4-(propylcarbamothioylcarbamoyl)benzoate
CID 17178546
1-[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]amino]-3-propylthiourea
CID 8626706
N-[[(4-fluorobenzoyl)amino]carbamothioyl]-2,6-dimethylbenzamide
CID 154190201
1-butyl-3-[[4-[(4-ethoxyphenoxy)methyl]benzoyl]amino]thiourea
CID 8626364

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorobenzoyl)amino]-3-propylthiourea?
The IUPAC name of 1-[(4-fluorobenzoyl)amino]-3-propylthiourea (CID 10611037) is 1-[(4-fluorobenzoyl)amino]-3-propylthiourea.
What is the SMILES notation for 1-[(4-fluorobenzoyl)amino]-3-propylthiourea?
The canonical SMILES for 1-[(4-fluorobenzoyl)amino]-3-propylthiourea is CCCNC(=S)NNC(=O)c1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorobenzoyl)amino]-3-propylthiourea?
The InChIKey is BGPUOMOTZFDSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3OS/c1-2-7-13-11(17)15-14-10(16)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3,(H,14,16)(H2,13,15,17).
What are the key properties of 1-[(4-fluorobenzoyl)amino]-3-propylthiourea?
1-[(4-fluorobenzoyl)amino]-3-propylthiourea has a molecular weight of 255.32 g/mol, XLogP of 1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorobenzoyl)amino]-3-propylthiourea is sourced from PubChem (CID 10611037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).