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

C13H15ClN2S — CID 104588659

IUPACN-[(3-chlorophenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
SMILESCC(CNCc1cccc(Cl)c1)c1nccs1
InChIInChI=1S/C13H15ClN2S/c1-10(13-16-5-6-17-13)8-15-9-11-3-2-4-12(14)7-11/h2-7,10,15H,8-9H2,1H3
InChIKeyZQIBLRIHZSYLAL-UHFFFAOYSA-N
MW266.80 g/mol
LogP3.69
Rot. Bonds5

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

N-[(3-chlorophenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine (PubChem CID 104588659) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
PubChem CID104588659
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC NameN-[(3-chlorophenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
SMILESCC(CNCc1cccc(Cl)c1)c1nccs1
InChIInChI=1S/C13H15ClN2S/c1-10(13-16-5-6-17-13)8-15-9-11-3-2-4-12(14)7-11/h2-7,10,15H,8-9H2,1H3
InChIKeyZQIBLRIHZSYLAL-UHFFFAOYSA-N
XLogP3.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588789
N-[(3-chloro-4-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588869
2-(1,3-thiazol-2-yl)-N-(thiophen-3-ylmethyl)propan-1-amine
CID 104588660
N-[(3,5-dimethoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588814
N-[(4-tert-butylphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588811
2-(1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 104588791
3-(3-chlorophenyl)-2-(1,3-thiazol-2-yl)propanal
CID 82024303
N-[(3-chlorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570853
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 103527680
N-[(1-propylpyrrol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 103527684
N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutan-1-amine
CID 83142139
N-[(2-propan-2-yloxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588784

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine (CID 104588659) is N-[(3-chlorophenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine is CC(CNCc1cccc(Cl)c1)c1nccs1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is ZQIBLRIHZSYLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c1-10(13-16-5-6-17-13)8-15-9-11-3-2-4-12(14)7-11/h2-7,10,15H,8-9H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
N-[(3-chlorophenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 266.80 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 104588659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).