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

C9H8Cl2N2S — CID 2729997

IUPACN-(3,5-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESClc1cc(Cl)cc(NC2=NCCS2)c1
InChIInChI=1S/C9H8Cl2N2S/c10-6-3-7(11)5-8(4-6)13-9-12-1-2-14-9/h3-5H,1-2H2,(H,12,13)
InChIKeyHXENQTNLXPSEFJ-UHFFFAOYSA-N
MW247.15 g/mol
LogP3.51
Rot. Bonds1

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

N-(3,5-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 2729997) has the molecular formula C9H8Cl2N2S and a molecular weight of 247.15 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID2729997
Molecular FormulaC9H8Cl2N2S
Molecular Weight247.15 g/mol
Exact Mass245.98
IUPAC NameN-(3,5-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESClc1cc(Cl)cc(NC2=NCCS2)c1
InChIInChI=1S/C9H8Cl2N2S/c10-6-3-7(11)5-8(4-6)13-9-12-1-2-14-9/h3-5H,1-2H2,(H,12,13)
InChIKeyHXENQTNLXPSEFJ-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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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(3,5-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 2729997) is N-(3,5-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3,5-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(3,5-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine is Clc1cc(Cl)cc(NC2=NCCS2)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is HXENQTNLXPSEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N2S/c10-6-3-7(11)5-8(4-6)13-9-12-1-2-14-9/h3-5H,1-2H2,(H,12,13).
What are the key properties of N-(3,5-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(3,5-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-(3,5-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 2729997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).