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

C10H10Cl2N2S — CID 12623046

IUPACN-[(3,4-dichlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESClc1ccc(CNC2=NCCS2)cc1Cl
InChIInChI=1S/C10H10Cl2N2S/c11-8-2-1-7(5-9(8)12)6-14-10-13-3-4-15-10/h1-2,5H,3-4,6H2,(H,13,14)
InChIKeyAYLINIFWHUNAQQ-UHFFFAOYSA-N
MW261.18 g/mol
LogP3.19
Rot. Bonds2

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

N-[(3,4-dichlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 12623046) has the molecular formula C10H10Cl2N2S and a molecular weight of 261.18 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID12623046
Molecular FormulaC10H10Cl2N2S
Molecular Weight261.18 g/mol
Exact Mass259.99
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESClc1ccc(CNC2=NCCS2)cc1Cl
InChIInChI=1S/C10H10Cl2N2S/c11-8-2-1-7(5-9(8)12)6-14-10-13-3-4-15-10/h1-2,5H,3-4,6H2,(H,13,14)
InChIKeyAYLINIFWHUNAQQ-UHFFFAOYSA-N
XLogP3.19
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.18
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3,4-dichlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 12623046) is N-[(3,4-dichlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is Clc1ccc(CNC2=NCCS2)cc1Cl.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is AYLINIFWHUNAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2S/c11-8-2-1-7(5-9(8)12)6-14-10-13-3-4-15-10/h1-2,5H,3-4,6H2,(H,13,14).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
N-[(3,4-dichlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 261.18 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 12623046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).