5-N-[3-(diethylamino)propyl]-4-ethoxy-5-N-ethyl-1,2-thiazole-3,5-diamine

C14H28N4OS — CID 103366005

IUPAC5-N-[3-(diethylamino)propyl]-4-ethoxy-5-N-ethyl-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1N(CC)CCCN(CC)CC
InChIInChI=1S/C14H28N4OS/c1-5-17(6-2)10-9-11-18(7-3)14-12(19-8-4)13(15)16-20-14/h5-11H2,1-4H3,(H2,15,16)
InChIKeyGRYKPHJLPZLZME-UHFFFAOYSA-N
MW300.47 g/mol
LogP2.68
Rot. Bonds10

About 5-N-[3-(diethylamino)propyl]-4-ethoxy-5-N-ethyl-1,2-thiazole-3,5-diamine

5-N-[3-(diethylamino)propyl]-4-ethoxy-5-N-ethyl-1,2-thiazole-3,5-diamine (PubChem CID 103366005) has the molecular formula C14H28N4OS and a molecular weight of 300.47 g/mol. Its IUPAC name is 5-N-[3-(diethylamino)propyl]-4-ethoxy-5-N-ethyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[3-(diethylamino)propyl]-4-ethoxy-5-N-ethyl-1,2-thiazole-3,5-diamine
PubChem CID103366005
Molecular FormulaC14H28N4OS
Molecular Weight300.47 g/mol
Exact Mass300.20
IUPAC Name5-N-[3-(diethylamino)propyl]-4-ethoxy-5-N-ethyl-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1N(CC)CCCN(CC)CC
InChIInChI=1S/C14H28N4OS/c1-5-17(6-2)10-9-11-18(7-3)14-12(19-8-4)13(15)16-20-14/h5-11H2,1-4H3,(H2,15,16)
InChIKeyGRYKPHJLPZLZME-UHFFFAOYSA-N
XLogP2.68
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-butyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103362406
4-ethoxy-5-N-ethyl-5-N-(pyridin-4-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103361278
2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]ethanol
CID 103360625
5-N-(2,2-difluoroethyl)-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103365691
2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]-N,N-diethylacetamide
CID 103361605
ethyl 3-amino-5-[3-(dimethylamino)propyl-ethylamino]-1,2-thiazole-4-carboxylate
CID 103384853
2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]-2-methylpropan-1-ol
CID 103365425
5-N-cyclohexyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103362232
5-N-ethyl-5-N-(2-methylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103362501
4-ethoxy-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-1,2-thiazole-3,5-diamine
CID 103362242
5-N-[3-(dimethylamino)propyl]-5-N-ethyl-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103365992
4-ethoxy-5-N-[(2-fluorophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103361504

Frequently Asked Questions

What is the IUPAC name of 5-N-[3-(diethylamino)propyl]-4-ethoxy-5-N-ethyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[3-(diethylamino)propyl]-4-ethoxy-5-N-ethyl-1,2-thiazole-3,5-diamine (CID 103366005) is 5-N-[3-(diethylamino)propyl]-4-ethoxy-5-N-ethyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[3-(diethylamino)propyl]-4-ethoxy-5-N-ethyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[3-(diethylamino)propyl]-4-ethoxy-5-N-ethyl-1,2-thiazole-3,5-diamine is CCOc1c(N)nsc1N(CC)CCCN(CC)CC.
What is the InChIKey of 5-N-[3-(diethylamino)propyl]-4-ethoxy-5-N-ethyl-1,2-thiazole-3,5-diamine?
The InChIKey is GRYKPHJLPZLZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4OS/c1-5-17(6-2)10-9-11-18(7-3)14-12(19-8-4)13(15)16-20-14/h5-11H2,1-4H3,(H2,15,16).
What are the key properties of 5-N-[3-(diethylamino)propyl]-4-ethoxy-5-N-ethyl-1,2-thiazole-3,5-diamine?
5-N-[3-(diethylamino)propyl]-4-ethoxy-5-N-ethyl-1,2-thiazole-3,5-diamine has a molecular weight of 300.47 g/mol, XLogP of 2.68, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[3-(diethylamino)propyl]-4-ethoxy-5-N-ethyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103366005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).