N-(2,6-dichlorophenyl)-1-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-4,5-dihydroimidazol-2-amine

C12H11Cl2N5S2 — CID 70567872

IUPACN-(2,6-dichlorophenyl)-1-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-4,5-dihydroimidazol-2-amine
SMILESCSc1nnc(N2CCN=C2Nc2c(Cl)cccc2Cl)s1
InChIInChI=1S/C12H11Cl2N5S2/c1-20-12-18-17-11(21-12)19-6-5-15-10(19)16-9-7(13)3-2-4-8(9)14/h2-4H,5-6H2,1H3,(H,15,16)
InChIKeyNJNJSKKZVWMALE-UHFFFAOYSA-N
MW360.30 g/mol
LogP3.85
Rot. Bonds3

About N-(2,6-dichlorophenyl)-1-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-4,5-dihydroimidazol-2-amine

N-(2,6-dichlorophenyl)-1-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-4,5-dihydroimidazol-2-amine (PubChem CID 70567872) has the molecular formula C12H11Cl2N5S2 and a molecular weight of 360.30 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-1-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-1-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-4,5-dihydroimidazol-2-amine
PubChem CID70567872
Molecular FormulaC12H11Cl2N5S2
Molecular Weight360.30 g/mol
Exact Mass358.98
IUPAC NameN-(2,6-dichlorophenyl)-1-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-4,5-dihydroimidazol-2-amine
SMILESCSc1nnc(N2CCN=C2Nc2c(Cl)cccc2Cl)s1
InChIInChI=1S/C12H11Cl2N5S2/c1-20-12-18-17-11(21-12)19-6-5-15-10(19)16-9-7(13)3-2-4-8(9)14/h2-4H,5-6H2,1H3,(H,15,16)
InChIKeyNJNJSKKZVWMALE-UHFFFAOYSA-N
XLogP3.85
TPSA53.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl] 2,2,2-trifluoroacetate
CID 155716510
3-(7-chloro-1-benzothiophen-2-yl)-2-methylsulfanyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 22474075
4-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine
CID 130636649
N-(2,6-dichlorophenyl)-1-[(3-methoxy-2-pyridinyl)methoxy]-4,5-dihydroimidazol-2-amine;dihydrobromide
CID 70548419
N-(2,6-dichlorophenyl)-1-[(4-methyl-2-pyridinyl)methoxy]-4,5-dihydroimidazol-2-amine
CID 56610280
[2-(2,6-dichloroanilino)-4,5-dihydroimidazol-1-yl]-(4-ethoxyphenyl)methanone
CID 13189171
N-(2-chlorophenyl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 7820649
N-(2,6-dichlorophenyl)-1-[(1-hydroxy-4-methyl-2H-pyridin-6-yl)methoxy]-4,5-dihydroimidazol-2-amine
CID 173421195
3-(7-chloro-1-benzothiophen-2-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 22473836
2-chloro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 836558
2-methyl-4-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2,4-triazolidin-3-one
CID 21454632
1-[5-(2,3-dichlorophenyl)sulfanyl-1,3,4-thiadiazol-2-yl]-4-methylpiperidin-4-amine
CID 177371146

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-1-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of N-(2,6-dichlorophenyl)-1-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-4,5-dihydroimidazol-2-amine (CID 70567872) is N-(2,6-dichlorophenyl)-1-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for N-(2,6-dichlorophenyl)-1-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for N-(2,6-dichlorophenyl)-1-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-4,5-dihydroimidazol-2-amine is CSc1nnc(N2CCN=C2Nc2c(Cl)cccc2Cl)s1.
What is the InChIKey of N-(2,6-dichlorophenyl)-1-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-4,5-dihydroimidazol-2-amine?
The InChIKey is NJNJSKKZVWMALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N5S2/c1-20-12-18-17-11(21-12)19-6-5-15-10(19)16-9-7(13)3-2-4-8(9)14/h2-4H,5-6H2,1H3,(H,15,16).
What are the key properties of N-(2,6-dichlorophenyl)-1-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-4,5-dihydroimidazol-2-amine?
N-(2,6-dichlorophenyl)-1-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-4,5-dihydroimidazol-2-amine has a molecular weight of 360.30 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-1-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 70567872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).