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

C13H14Cl2N2S — CID 61334805

IUPACN-[(3,5-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCC(C)NC(c1cc(Cl)cc(Cl)c1)c1nccs1
InChIInChI=1S/C13H14Cl2N2S/c1-8(2)17-12(13-16-3-4-18-13)9-5-10(14)7-11(15)6-9/h3-8,12,17H,1-2H3
InChIKeySBVHPFVLDZODJC-UHFFFAOYSA-N
MW301.24 g/mol
LogP4.54
Rot. Bonds4

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

N-[(3,5-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-2-amine (PubChem CID 61334805) 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-2-amine.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-2-amine
PubChem CID61334805
Molecular FormulaC13H14Cl2N2S
Molecular Weight301.24 g/mol
Exact Mass300.03
IUPAC NameN-[(3,5-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCC(C)NC(c1cc(Cl)cc(Cl)c1)c1nccs1
InChIInChI=1S/C13H14Cl2N2S/c1-8(2)17-12(13-16-3-4-18-13)9-5-10(14)7-11(15)6-9/h3-8,12,17H,1-2H3
InChIKeySBVHPFVLDZODJC-UHFFFAOYSA-N
XLogP4.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-chloro-4-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-2-amine
CID 81154689
N-[(3,5-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332586
N-[(7-chloro-1,3-benzodioxol-5-yl)-(1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61335976
N-[(2,5-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61335969
N-[(2,4-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61336170
N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 46785150
N-[(7-bromo-1,3-benzodioxol-5-yl)-(1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61335781
(1S)-1-(3-chlorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 81366500
1-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine
CID 81154688
(1S)-1-(3,4-dichlorophenyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 96563349
(2R)-N-[(S)-phenyl(1,3-thiazol-2-yl)methyl]butan-2-amine
CID 124570142
1-(2-bromo-5-chlorophenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine
CID 66157853

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(3,5-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-2-amine (CID 61334805) is N-[(3,5-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3,5-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(3,5-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-2-amine is CC(C)NC(c1cc(Cl)cc(Cl)c1)c1nccs1.
What is the InChIKey of N-[(3,5-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-2-amine?
The InChIKey is SBVHPFVLDZODJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2S/c1-8(2)17-12(13-16-3-4-18-13)9-5-10(14)7-11(15)6-9/h3-8,12,17H,1-2H3.
What are the key properties of N-[(3,5-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-2-amine?
N-[(3,5-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-2-amine has a molecular weight of 301.24 g/mol, XLogP of 4.54, 4 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-2-amine is sourced from PubChem (CID 61334805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).