N-(3,5-dichlorophenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide

C12H13Cl2N3OS — CID 134103003

IUPACN-(3,5-dichlorophenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide
SMILESCC1(C)CN(C(=O)Nc2cc(Cl)cc(Cl)c2)C(=S)N1
InChIInChI=1S/C12H13Cl2N3OS/c1-12(2)6-17(11(19)16-12)10(18)15-9-4-7(13)3-8(14)5-9/h3-5H,6H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyDCRRWDSWDSVSRT-UHFFFAOYSA-N
MW318.23 g/mol
LogP3.49
Rot. Bonds1

About N-(3,5-dichlorophenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide

N-(3,5-dichlorophenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide (PubChem CID 134103003) has the molecular formula C12H13Cl2N3OS and a molecular weight of 318.23 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide
PubChem CID134103003
Molecular FormulaC12H13Cl2N3OS
Molecular Weight318.23 g/mol
Exact Mass317.02
IUPAC NameN-(3,5-dichlorophenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide
SMILESCC1(C)CN(C(=O)Nc2cc(Cl)cc(Cl)c2)C(=S)N1
InChIInChI=1S/C12H13Cl2N3OS/c1-12(2)6-17(11(19)16-12)10(18)15-9-4-7(13)3-8(14)5-9/h3-5H,6H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyDCRRWDSWDSVSRT-UHFFFAOYSA-N
XLogP3.49
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.23
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3,5-dichlorophenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide 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

Iprodione
CID 37517
N-(3-Chlorophenyl)-1-pyrrolidinecarboxamide
CID 765256
1-Imidazolidinecarboxamide, N-(3,5-dichlorophenyl)-3-(1-methylethyl)-2,4-dioxo-
CID 149013
Imidoline
CID 23728
3-(3,5-Dichlorophenyl)-1,1-dimethylurea
CID 551927
1,1-Dibutyl-3-(3,5-dichlorophenyl)urea
CID 5194568
iprodione TP2
CID 131856609
N-(3,5-Dichlorophenyl)-2,5-dioxoimidazolidine-1-carboxamide
CID 139596644
N-(3,5-dichlorophenyl)pyrrolidine-1-carbothioamide
CID 17268980
1-(3-Chlorophenyl)-3-[2-(dimethylamino)ethyl]thiourea
CID 887037
N-(3,5-dichlorophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2381484
1-(3-Chlorophenyl)-3-[2-(diethylamino)ethyl]imidazolidin-2-one
CID 45268438

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide (CID 134103003) is N-(3,5-dichlorophenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide is CC1(C)CN(C(=O)Nc2cc(Cl)cc(Cl)c2)C(=S)N1.
What is the InChIKey of N-(3,5-dichlorophenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide?
The InChIKey is DCRRWDSWDSVSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3OS/c1-12(2)6-17(11(19)16-12)10(18)15-9-4-7(13)3-8(14)5-9/h3-5H,6H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N-(3,5-dichlorophenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide?
N-(3,5-dichlorophenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide has a molecular weight of 318.23 g/mol, XLogP of 3.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-4,4-dimethyl-2-sulfanylideneimidazolidine-1-carboxamide is sourced from PubChem (CID 134103003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).