2-(carbamothioylamino)-6-fluorobenzamide

C8H8FN3OS — CID 169356311

IUPAC2-(carbamothioylamino)-6-fluorobenzamide
SMILESNC(=O)c1c(F)cccc1NC(N)=S
InChIInChI=1S/C8H8FN3OS/c9-4-2-1-3-5(12-8(11)14)6(4)7(10)13/h1-3H,(H2,10,13)(H3,11,12,14)
InChIKeyUMJCORFPOMGQIQ-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.58
Rot. Bonds2

About 2-(carbamothioylamino)-6-fluorobenzamide

2-(carbamothioylamino)-6-fluorobenzamide (PubChem CID 169356311) has the molecular formula C8H8FN3OS and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-(carbamothioylamino)-6-fluorobenzamide.

Molecular Properties

Compound Name2-(carbamothioylamino)-6-fluorobenzamide
PubChem CID169356311
Molecular FormulaC8H8FN3OS
Molecular Weight213.24 g/mol
Exact Mass213.04
IUPAC Name2-(carbamothioylamino)-6-fluorobenzamide
SMILESNC(=O)c1c(F)cccc1NC(N)=S
InChIInChI=1S/C8H8FN3OS/c9-4-2-1-3-5(12-8(11)14)6(4)7(10)13/h1-3H,(H2,10,13)(H3,11,12,14)
InChIKeyUMJCORFPOMGQIQ-UHFFFAOYSA-N
XLogP0.58
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(3-fluoro-2-iodophenyl)thiourea
CID 130498613
CID 161042703
CID 161042703
[2-(difluoromethyl)-3-fluorophenyl]thiourea
CID 169359532
N-(2-carbamothioyl-3-fluorophenyl)cyclopropanecarboxamide
CID 43580877
[(2,6-difluorobenzoyl)amino]thiourea
CID 65217088
2-fluoro-6-hydroxybenzamide
CID 15219200
1-tert-butyl-3-(2-carbamothioyl-3-fluorophenyl)urea
CID 43581015
1-(2-carbamothioyl-3-fluorophenyl)-3-(4-fluorophenyl)urea
CID 43581005
N-(2-carbamothioyl-3-fluorophenyl)-2,3-dihydroxybenzamide
CID 114343600
4-(2-carbamoyl-3-fluoroanilino)benzoic acid
CID 79513280
[2-(carbamothioylamino)phenyl]thiourea
CID 21412484
N-(2-carbamothioyl-3-fluorophenyl)-3-chloro-2-methylbenzamide
CID 107096806

Frequently Asked Questions

What is the IUPAC name of 2-(carbamothioylamino)-6-fluorobenzamide?
The IUPAC name of 2-(carbamothioylamino)-6-fluorobenzamide (CID 169356311) is 2-(carbamothioylamino)-6-fluorobenzamide.
What is the SMILES notation for 2-(carbamothioylamino)-6-fluorobenzamide?
The canonical SMILES for 2-(carbamothioylamino)-6-fluorobenzamide is NC(=O)c1c(F)cccc1NC(N)=S.
What is the InChIKey of 2-(carbamothioylamino)-6-fluorobenzamide?
The InChIKey is UMJCORFPOMGQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3OS/c9-4-2-1-3-5(12-8(11)14)6(4)7(10)13/h1-3H,(H2,10,13)(H3,11,12,14).
What are the key properties of 2-(carbamothioylamino)-6-fluorobenzamide?
2-(carbamothioylamino)-6-fluorobenzamide has a molecular weight of 213.24 g/mol, XLogP of 0.58, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamothioylamino)-6-fluorobenzamide is sourced from PubChem (CID 169356311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).