N-[(3,5-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine

C13H14Cl2N2S — CID 61332586

IUPACN-[(3,5-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Cl)cc(Cl)c1)c1nccs1
InChIInChI=1S/C13H14Cl2N2S/c1-2-3-16-12(13-17-4-5-18-13)9-6-10(14)8-11(15)7-9/h4-8,12,16H,2-3H2,1H3
InChIKeyJTNPRCUHMMGLEA-UHFFFAOYSA-N
MW301.24 g/mol
LogP4.54
Rot. Bonds5

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

N-[(3,5-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine (PubChem CID 61332586) has the molecular formula C13H14Cl2N2S and a molecular weight of 301.24 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
PubChem CID61332586
Molecular FormulaC13H14Cl2N2S
Molecular Weight301.24 g/mol
Exact Mass300.03
IUPAC NameN-[(3,5-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Cl)cc(Cl)c1)c1nccs1
InChIInChI=1S/C13H14Cl2N2S/c1-2-3-16-12(13-17-4-5-18-13)9-6-10(14)8-11(15)7-9/h4-8,12,16H,2-3H2,1H3
InChIKeyJTNPRCUHMMGLEA-UHFFFAOYSA-N
XLogP4.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.24
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332600
N-[(5-chloro-2-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 114859186
N-[(3,5-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61334805
N-[(3,5-dichlorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61330656
N-[(3,4-dibromophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 114077447
N-[(3-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332798
N-[(3-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332776
N-[1,3-thiazol-2-yl(thiophen-2-yl)methyl]propan-1-amine
CID 61347143
N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149
N-[(2-methylquinolin-6-yl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 105379123
N-[(3,5-dichlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 115860582
N-[(2,6-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332803

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3,5-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine (CID 61332586) is N-[(3,5-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,5-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,5-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine is CCCNC(c1cc(Cl)cc(Cl)c1)c1nccs1.
What is the InChIKey of N-[(3,5-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine?
The InChIKey is JTNPRCUHMMGLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2S/c1-2-3-16-12(13-17-4-5-18-13)9-6-10(14)8-11(15)7-9/h4-8,12,16H,2-3H2,1H3.
What are the key properties of N-[(3,5-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine?
N-[(3,5-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine has a molecular weight of 301.24 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 61332586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).