1-[(2-fluorobenzoyl)amino]-3-propylthiourea

C11H14FN3OS — CID 40654508

IUPAC1-[(2-fluorobenzoyl)amino]-3-propylthiourea
SMILESCCCNC(=S)NNC(=O)c1ccccc1F
InChIInChI=1S/C11H14FN3OS/c1-2-7-13-11(17)15-14-10(16)8-5-3-4-6-9(8)12/h3-6H,2,7H2,1H3,(H,14,16)(H2,13,15,17)
InChIKeyPZIGVRGYULDFCB-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.34
Rot. Bonds3

About 1-[(2-fluorobenzoyl)amino]-3-propylthiourea

1-[(2-fluorobenzoyl)amino]-3-propylthiourea (PubChem CID 40654508) has the molecular formula C11H14FN3OS and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[(2-fluorobenzoyl)amino]-3-propylthiourea.

Molecular Properties

Compound Name1-[(2-fluorobenzoyl)amino]-3-propylthiourea
PubChem CID40654508
Molecular FormulaC11H14FN3OS
Molecular Weight255.32 g/mol
Exact Mass255.08
IUPAC Name1-[(2-fluorobenzoyl)amino]-3-propylthiourea
SMILESCCCNC(=S)NNC(=O)c1ccccc1F
InChIInChI=1S/C11H14FN3OS/c1-2-7-13-11(17)15-14-10(16)8-5-3-4-6-9(8)12/h3-6H,2,7H2,1H3,(H,14,16)(H2,13,15,17)
InChIKeyPZIGVRGYULDFCB-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-[(4-fluorobenzoyl)amino]-3-propylthiourea
CID 10611037
2-fluoro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163327
1-[1-(2-fluorophenyl)ethenylamino]-3-(2-methoxyethyl)thiourea
CID 2489635
1-ethyl-3-[(2-methylbenzoyl)amino]thiourea
CID 4299886
1-(3-chloro-4-methylphenyl)-3-[(2-fluorobenzoyl)amino]thiourea
CID 8625148
N-[2-(ethylcarbamoylamino)ethyl]-2-fluorobenzamide
CID 47337929
N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-2-fluorobenzamide
CID 4950508
1-[(2-hydroxybenzoyl)amino]-3-(3-methylsulfanylpropyl)thiourea
CID 7943517
N-(4-amino-4-sulfanylidenebutyl)-2-fluorobenzamide
CID 62666034
1-butyl-3-[(2,4-dichlorobenzoyl)amino]thiourea
CID 40648193
2-fluoro-N'-(2-phenylbutanoyl)benzohydrazide
CID 51145365
2-fluoro-N-[2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 9220655

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorobenzoyl)amino]-3-propylthiourea?
The IUPAC name of 1-[(2-fluorobenzoyl)amino]-3-propylthiourea (CID 40654508) is 1-[(2-fluorobenzoyl)amino]-3-propylthiourea.
What is the SMILES notation for 1-[(2-fluorobenzoyl)amino]-3-propylthiourea?
The canonical SMILES for 1-[(2-fluorobenzoyl)amino]-3-propylthiourea is CCCNC(=S)NNC(=O)c1ccccc1F.
What is the InChIKey of 1-[(2-fluorobenzoyl)amino]-3-propylthiourea?
The InChIKey is PZIGVRGYULDFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3OS/c1-2-7-13-11(17)15-14-10(16)8-5-3-4-6-9(8)12/h3-6H,2,7H2,1H3,(H,14,16)(H2,13,15,17).
What are the key properties of 1-[(2-fluorobenzoyl)amino]-3-propylthiourea?
1-[(2-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-[(2-fluorobenzoyl)amino]-3-propylthiourea is sourced from PubChem (CID 40654508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).