2-(3-chlorophenyl)-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine

C15H19ClN2S — CID 79443167

IUPAC2-(3-chlorophenyl)-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine
SMILESCCCNCC(Cc1cscn1)c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2S/c1-2-6-17-9-13(8-15-10-19-11-18-15)12-4-3-5-14(16)7-12/h3-5,7,10-11,13,17H,2,6,8-9H2,1H3
InChIKeyHMPDAFGTEWOZJO-UHFFFAOYSA-N
MW294.85 g/mol
LogP4.12
Rot. Bonds7

About 2-(3-chlorophenyl)-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine

2-(3-chlorophenyl)-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine (PubChem CID 79443167) has the molecular formula C15H19ClN2S and a molecular weight of 294.85 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine
PubChem CID79443167
Molecular FormulaC15H19ClN2S
Molecular Weight294.85 g/mol
Exact Mass294.10
IUPAC Name2-(3-chlorophenyl)-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine
SMILESCCCNCC(Cc1cscn1)c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2S/c1-2-6-17-9-13(8-15-10-19-11-18-15)12-4-3-5-14(16)7-12/h3-5,7,10-11,13,17H,2,6,8-9H2,1H3
InChIKeyHMPDAFGTEWOZJO-UHFFFAOYSA-N
XLogP4.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.85
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-4-yl)propan-1-amine
CID 79443102
2-[(3-chlorophenyl)methyl]-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine
CID 62516119
2-(3-chlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 79443388
2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 82872115
N-methyl-2-(3-methylphenyl)-3-(1,3-thiazol-4-yl)propan-1-amine
CID 79416654
2-(2-methylphenyl)-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine
CID 79420864
3-(2-bromophenyl)-2-(3-chlorophenyl)-N-propylpropan-1-amine
CID 79433426
2-(3-chlorophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine
CID 79433408
2-(3-chlorophenyl)-5,5-dimethyl-N-propylhexan-1-amine
CID 79443240
4-butoxy-2-(3-chlorophenyl)-N-propylbutan-1-amine
CID 79443466
2-(3-chlorophenyl)-4-(2-methoxyethoxy)-N-propylbutan-1-amine
CID 79443023
2-(3-bromophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-1-amine
CID 79443123

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine?
The IUPAC name of 2-(3-chlorophenyl)-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine (CID 79443167) is 2-(3-chlorophenyl)-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine is CCCNCC(Cc1cscn1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine?
The InChIKey is HMPDAFGTEWOZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2S/c1-2-6-17-9-13(8-15-10-19-11-18-15)12-4-3-5-14(16)7-12/h3-5,7,10-11,13,17H,2,6,8-9H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine?
2-(3-chlorophenyl)-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine has a molecular weight of 294.85 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine is sourced from PubChem (CID 79443167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).