4-ethoxy-5-N-ethyl-5-N-(pyridin-4-ylmethyl)-1,2-thiazole-3,5-diamine

C13H18N4OS — CID 103361278

IUPAC4-ethoxy-5-N-ethyl-5-N-(pyridin-4-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1N(CC)Cc1ccncc1
InChIInChI=1S/C13H18N4OS/c1-3-17(9-10-5-7-15-8-6-10)13-11(18-4-2)12(14)16-19-13/h5-8H,3-4,9H2,1-2H3,(H2,14,16)
InChIKeyPYJPFRNWZQMPPF-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.55
Rot. Bonds6

About 4-ethoxy-5-N-ethyl-5-N-(pyridin-4-ylmethyl)-1,2-thiazole-3,5-diamine

4-ethoxy-5-N-ethyl-5-N-(pyridin-4-ylmethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103361278) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-ethoxy-5-N-ethyl-5-N-(pyridin-4-ylmethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-ethoxy-5-N-ethyl-5-N-(pyridin-4-ylmethyl)-1,2-thiazole-3,5-diamine
PubChem CID103361278
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name4-ethoxy-5-N-ethyl-5-N-(pyridin-4-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1N(CC)Cc1ccncc1
InChIInChI=1S/C13H18N4OS/c1-3-17(9-10-5-7-15-8-6-10)13-11(18-4-2)12(14)16-19-13/h5-8H,3-4,9H2,1-2H3,(H2,14,16)
InChIKeyPYJPFRNWZQMPPF-UHFFFAOYSA-N
XLogP2.55
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-amino-5-[ethyl(pyridin-4-ylmethyl)amino]-1,2-thiazole-4-carboxylate
CID 103380270
5-N-[3-(diethylamino)propyl]-4-ethoxy-5-N-ethyl-1,2-thiazole-3,5-diamine
CID 103366005
2-N-ethyl-2-N-(pyridin-4-ylmethyl)pyrazine-2,5-diamine
CID 80653271
2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]ethanol
CID 103360625
5-N-butyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103362406
4-ethoxy-5-N-(2-ethoxyethyl)-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103364467
2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]-N,N-diethylacetamide
CID 103361605
2-N-ethyl-2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine
CID 54948094
5-N-ethyl-4-methyl-5-N-(pyridin-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103364459
2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]-2-methylpropan-1-ol
CID 103365425
5-N-benzyl-4-methoxy-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103381362
5-N-ethyl-4-pyridin-4-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360705

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-N-ethyl-5-N-(pyridin-4-ylmethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-ethoxy-5-N-ethyl-5-N-(pyridin-4-ylmethyl)-1,2-thiazole-3,5-diamine (CID 103361278) is 4-ethoxy-5-N-ethyl-5-N-(pyridin-4-ylmethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-ethoxy-5-N-ethyl-5-N-(pyridin-4-ylmethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-ethoxy-5-N-ethyl-5-N-(pyridin-4-ylmethyl)-1,2-thiazole-3,5-diamine is CCOc1c(N)nsc1N(CC)Cc1ccncc1.
What is the InChIKey of 4-ethoxy-5-N-ethyl-5-N-(pyridin-4-ylmethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is PYJPFRNWZQMPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-3-17(9-10-5-7-15-8-6-10)13-11(18-4-2)12(14)16-19-13/h5-8H,3-4,9H2,1-2H3,(H2,14,16).
What are the key properties of 4-ethoxy-5-N-ethyl-5-N-(pyridin-4-ylmethyl)-1,2-thiazole-3,5-diamine?
4-ethoxy-5-N-ethyl-5-N-(pyridin-4-ylmethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 278.38 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-N-ethyl-5-N-(pyridin-4-ylmethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103361278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).