N-(2,5-difluorophenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide

C12H13F2N3OS — CID 134094311

IUPACN-(2,5-difluorophenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide
SMILESCC1(C)CN(C(=O)Nc2cc(F)ccc2F)C(=S)N1
InChIInChI=1S/C12H13F2N3OS/c1-12(2)6-17(11(19)16-12)10(18)15-9-5-7(13)3-4-8(9)14/h3-5H,6H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyATIJAPXSMKVZFQ-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.47
Rot. Bonds1

About N-(2,5-difluorophenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide

N-(2,5-difluorophenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide (PubChem CID 134094311) has the molecular formula C12H13F2N3OS and a molecular weight of 285.32 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide
PubChem CID134094311
Molecular FormulaC12H13F2N3OS
Molecular Weight285.32 g/mol
Exact Mass285.07
IUPAC NameN-(2,5-difluorophenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide
SMILESCC1(C)CN(C(=O)Nc2cc(F)ccc2F)C(=S)N1
InChIInChI=1S/C12H13F2N3OS/c1-12(2)6-17(11(19)16-12)10(18)15-9-5-7(13)3-4-8(9)14/h3-5H,6H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyATIJAPXSMKVZFQ-UHFFFAOYSA-N
XLogP2.47
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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3-(2,5-difluorophenyl)-1,1-dimethylurea
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N-(2,5-difluorophenyl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51250071
N-(2,5-difluorophenyl)-3-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide (CID 134094311) is N-(2,5-difluorophenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide is CC1(C)CN(C(=O)Nc2cc(F)ccc2F)C(=S)N1.
What is the InChIKey of N-(2,5-difluorophenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide?
The InChIKey is ATIJAPXSMKVZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3OS/c1-12(2)6-17(11(19)16-12)10(18)15-9-5-7(13)3-4-8(9)14/h3-5H,6H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N-(2,5-difluorophenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide?
N-(2,5-difluorophenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide has a molecular weight of 285.32 g/mol, XLogP of 2.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide is sourced from PubChem (CID 134094311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).