N-(2,4-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine

C9H8Cl2N2S — CID 2731260

IUPACN-(2,4-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESClc1ccc(NC2=NCCS2)c(Cl)c1
InChIInChI=1S/C9H8Cl2N2S/c10-6-1-2-8(7(11)5-6)13-9-12-3-4-14-9/h1-2,5H,3-4H2,(H,12,13)
InChIKeyWKHUCEWZQWLHHO-UHFFFAOYSA-N
MW247.15 g/mol
LogP3.51
Rot. Bonds1

About N-(2,4-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine

N-(2,4-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 2731260) has the molecular formula C9H8Cl2N2S and a molecular weight of 247.15 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID2731260
Molecular FormulaC9H8Cl2N2S
Molecular Weight247.15 g/mol
Exact Mass245.98
IUPAC NameN-(2,4-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESClc1ccc(NC2=NCCS2)c(Cl)c1
InChIInChI=1S/C9H8Cl2N2S/c10-6-1-2-8(7(11)5-6)13-9-12-3-4-14-9/h1-2,5H,3-4H2,(H,12,13)
InChIKeyWKHUCEWZQWLHHO-UHFFFAOYSA-N
XLogP3.51
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.15
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2378238
N-(3-Chloro-4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 383599
N-(3,5-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 2729997
Mls003115267
CID 317099
N-(3-Chloro-4-fluorophenyl)-5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 389115
propan-2-yl N-(4-chlorophenyl)-N'-ethylcarbamimidothioate
CID 44574696
St 363
CID 90274
n-(3-Chlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 280593
N-(2-chlorophenyl)-4,4-dimethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2378239
N-(3-chloro-4-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 934837
5-(bromomethyl)-N-(2,5-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 3116468
N-(3,4-dichlorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 3863745

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2,4-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 2731260) is N-(2,4-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,4-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,4-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine is Clc1ccc(NC2=NCCS2)c(Cl)c1.
What is the InChIKey of N-(2,4-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is WKHUCEWZQWLHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N2S/c10-6-1-2-8(7(11)5-6)13-9-12-3-4-14-9/h1-2,5H,3-4H2,(H,12,13).
What are the key properties of N-(2,4-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(2,4-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 247.15 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 2731260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).