N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N',N'-dimethylpropane-1,3-diamine

C14H18ClN3S — CID 3231549

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C14H18ClN3S/c1-18(2)9-3-8-16-14-17-13(10-19-14)11-4-6-12(15)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyMXUWYYZDSXIXHO-UHFFFAOYSA-N
MW295.84 g/mol
LogP3.83
Rot. Bonds6

About N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N',N'-dimethylpropane-1,3-diamine

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 3231549) has the molecular formula C14H18ClN3S and a molecular weight of 295.84 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID3231549
Molecular FormulaC14H18ClN3S
Molecular Weight295.84 g/mol
Exact Mass295.09
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C14H18ClN3S/c1-18(2)9-3-8-16-14-17-13(10-19-14)11-4-6-12(15)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyMXUWYYZDSXIXHO-UHFFFAOYSA-N
XLogP3.83
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N',N'-dimethylpropane-1,3-diamine 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-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N',N'-dimethylpropane-1,3-diamine (CID 3231549) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is MXUWYYZDSXIXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3S/c1-18(2)9-3-8-16-14-17-13(10-19-14)11-4-6-12(15)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,16,17).
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N',N'-dimethylpropane-1,3-diamine?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 295.84 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 3231549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).