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

C14H18Cl2N2S — CID 106284902

IUPACN-(2,3-dichlorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(Nc2cccc(Cl)c2Cl)S1
InChIInChI=1S/C14H18Cl2N2S/c1-3-9(4-2)12-8-17-14(19-12)18-11-7-5-6-10(15)13(11)16/h5-7,9,12H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyHTVGHQXALLNQKB-UHFFFAOYSA-N
MW317.29 g/mol
LogP5.31
Rot. Bonds4

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

N-(2,3-dichlorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106284902) has the molecular formula C14H18Cl2N2S and a molecular weight of 317.29 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106284902
Molecular FormulaC14H18Cl2N2S
Molecular Weight317.29 g/mol
Exact Mass316.06
IUPAC NameN-(2,3-dichlorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(Nc2cccc(Cl)c2Cl)S1
InChIInChI=1S/C14H18Cl2N2S/c1-3-9(4-2)12-8-17-14(19-12)18-11-7-5-6-10(15)13(11)16/h5-7,9,12H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyHTVGHQXALLNQKB-UHFFFAOYSA-N
XLogP5.31
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.29
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,3-dichlorophenyl)-5-pentan-3-yl-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

Related Compounds

N-(2,6-dichloro-3-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284776
N-(4-chloro-2-fluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285015
5-pentan-3-yl-N-quinolin-5-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284803
N-(4-methyl-3-pyridinyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285270
N-(2,5-difluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284811
N-(4-iodophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284701
N-[4-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 106284715
N-(3,4-dimethylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284901
N-(6-methyl-3-pyridinyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285482
3-bromo-4-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzonitrile
CID 106285807
N-(4-bromo-5-fluoro-2-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285684
N-[4-(difluoromethoxy)phenyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284917

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2,3-dichlorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 106284902) is N-(2,3-dichlorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,3-dichlorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,3-dichlorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is CCC(CC)C1CN=C(Nc2cccc(Cl)c2Cl)S1.
What is the InChIKey of N-(2,3-dichlorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is HTVGHQXALLNQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2S/c1-3-9(4-2)12-8-17-14(19-12)18-11-7-5-6-10(15)13(11)16/h5-7,9,12H,3-4,8H2,1-2H3,(H,17,18).
What are the key properties of N-(2,3-dichlorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
N-(2,3-dichlorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 317.29 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106284902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).