4-chloro-5-(chloromethyl)-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine

C10H16Cl2N2OS — CID 80687134

IUPAC4-chloro-5-(chloromethyl)-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine
SMILESCCOCCN(CC)c1nc(Cl)c(CCl)s1
InChIInChI=1S/C10H16Cl2N2OS/c1-3-14(5-6-15-4-2)10-13-9(12)8(7-11)16-10/h3-7H2,1-2H3
InChIKeyNTDZNHZSDOTKGF-UHFFFAOYSA-N
MW283.22 g/mol
LogP3.40
Rot. Bonds7

About 4-chloro-5-(chloromethyl)-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine

4-chloro-5-(chloromethyl)-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine (PubChem CID 80687134) has the molecular formula C10H16Cl2N2OS and a molecular weight of 283.22 g/mol. Its IUPAC name is 4-chloro-5-(chloromethyl)-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-5-(chloromethyl)-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine
PubChem CID80687134
Molecular FormulaC10H16Cl2N2OS
Molecular Weight283.22 g/mol
Exact Mass282.04
IUPAC Name4-chloro-5-(chloromethyl)-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine
SMILESCCOCCN(CC)c1nc(Cl)c(CCl)s1
InChIInChI=1S/C10H16Cl2N2OS/c1-3-14(5-6-15-4-2)10-13-9(12)8(7-11)16-10/h3-7H2,1-2H3
InChIKeyNTDZNHZSDOTKGF-UHFFFAOYSA-N
XLogP3.40
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.22
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-5-(chloromethyl)-N,N-dipropyl-1,3-thiazol-2-amine
CID 80688224
4-chloro-5-(chloromethyl)-N-(cyclobutylmethyl)-N-ethyl-1,3-thiazol-2-amine
CID 107399733
6-chloro-2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
CID 63692736
4-bromo-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine
CID 79399183
1-[2-[2-ethoxyethyl(ethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 63690212
4-chloro-5-(chloromethyl)-N-methyl-N-pentyl-1,3-thiazol-2-amine
CID 80687939
5-(aminomethyl)-N,N-bis(2-ethoxyethyl)-4-propyl-1,3-thiazol-2-amine
CID 82943286
N,N-bis(2-ethoxyethyl)-4-ethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 82943284
2-N-[4-chloro-5-(chloromethyl)-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189856
[2-[bis(2-ethoxyethyl)amino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 107511117
N-(2-ethoxyethyl)-N-ethyl-4-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 63690382
6-chloro-4-N-(2-ethoxyethyl)-4-N-ethylpyrimidine-4,5-diamine
CID 63698064

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(chloromethyl)-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-5-(chloromethyl)-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine (CID 80687134) is 4-chloro-5-(chloromethyl)-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-5-(chloromethyl)-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-5-(chloromethyl)-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine is CCOCCN(CC)c1nc(Cl)c(CCl)s1.
What is the InChIKey of 4-chloro-5-(chloromethyl)-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine?
The InChIKey is NTDZNHZSDOTKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Cl2N2OS/c1-3-14(5-6-15-4-2)10-13-9(12)8(7-11)16-10/h3-7H2,1-2H3.
What are the key properties of 4-chloro-5-(chloromethyl)-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine?
4-chloro-5-(chloromethyl)-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine has a molecular weight of 283.22 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(chloromethyl)-N-(2-ethoxyethyl)-N-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 80687134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).