5-N-[1-(3-chlorophenyl)ethyl]-1,2-thiazole-3,5-diamine

C11H12ClN3S — CID 103359303

IUPAC5-N-[1-(3-chlorophenyl)ethyl]-1,2-thiazole-3,5-diamine
SMILESCC(Nc1cc(N)ns1)c1cccc(Cl)c1
InChIInChI=1S/C11H12ClN3S/c1-7(8-3-2-4-9(12)5-8)14-11-6-10(13)15-16-11/h2-7,14H,1H3,(H2,13,15)
InChIKeyJBKPXTXGGNZIGK-UHFFFAOYSA-N
MW253.76 g/mol
LogP3.55
Rot. Bonds3

About 5-N-[1-(3-chlorophenyl)ethyl]-1,2-thiazole-3,5-diamine

5-N-[1-(3-chlorophenyl)ethyl]-1,2-thiazole-3,5-diamine (PubChem CID 103359303) has the molecular formula C11H12ClN3S and a molecular weight of 253.76 g/mol. Its IUPAC name is 5-N-[1-(3-chlorophenyl)ethyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[1-(3-chlorophenyl)ethyl]-1,2-thiazole-3,5-diamine
PubChem CID103359303
Molecular FormulaC11H12ClN3S
Molecular Weight253.76 g/mol
Exact Mass253.04
IUPAC Name5-N-[1-(3-chlorophenyl)ethyl]-1,2-thiazole-3,5-diamine
SMILESCC(Nc1cc(N)ns1)c1cccc(Cl)c1
InChIInChI=1S/C11H12ClN3S/c1-7(8-3-2-4-9(12)5-8)14-11-6-10(13)15-16-11/h2-7,14H,1H3,(H2,13,15)
InChIKeyJBKPXTXGGNZIGK-UHFFFAOYSA-N
XLogP3.55
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.76
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-[1-(3-chlorophenyl)ethyl]pyridine-2,6-diamine
CID 80646586
5-N-[1-(4-ethylphenyl)ethyl]-1,2-thiazole-3,5-diamine
CID 103359177
2,6-dichloro-1-N-[1-(3-chlorophenyl)ethyl]benzene-1,4-diamine
CID 106890129
N-[1-(3-chlorophenyl)ethyl]-2,1-benzothiazol-3-amine
CID 63372965
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
4-N-[1-(3-chlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 113221029
3,5-dichloro-N-[1-(3-chlorophenyl)ethyl]aniline
CID 43106074
3-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzene-1,3-diamine
CID 55147569
2-tert-butyl-4-N-[1-(3-chlorophenyl)ethyl]pyrimidine-4,6-diamine
CID 80961780
3-N-[(1R)-1-(3-chlorophenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine
CID 146673450
4-N-[1-(3-chlorophenyl)ethyl]pyridine-3,4-diamine
CID 54964841
N-[1-(3-chlorophenyl)ethyl]-4-propan-2-ylaniline
CID 43101592

Frequently Asked Questions

What is the IUPAC name of 5-N-[1-(3-chlorophenyl)ethyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[1-(3-chlorophenyl)ethyl]-1,2-thiazole-3,5-diamine (CID 103359303) is 5-N-[1-(3-chlorophenyl)ethyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[1-(3-chlorophenyl)ethyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[1-(3-chlorophenyl)ethyl]-1,2-thiazole-3,5-diamine is CC(Nc1cc(N)ns1)c1cccc(Cl)c1.
What is the InChIKey of 5-N-[1-(3-chlorophenyl)ethyl]-1,2-thiazole-3,5-diamine?
The InChIKey is JBKPXTXGGNZIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3S/c1-7(8-3-2-4-9(12)5-8)14-11-6-10(13)15-16-11/h2-7,14H,1H3,(H2,13,15).
What are the key properties of 5-N-[1-(3-chlorophenyl)ethyl]-1,2-thiazole-3,5-diamine?
5-N-[1-(3-chlorophenyl)ethyl]-1,2-thiazole-3,5-diamine has a molecular weight of 253.76 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[1-(3-chlorophenyl)ethyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).