4-ethoxy-5-N-(1H-imidazol-2-ylmethyl)-1,2-thiazole-3,5-diamine

C9H13N5OS — CID 103359710

IUPAC4-ethoxy-5-N-(1H-imidazol-2-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1NCc1ncc[nH]1
InChIInChI=1S/C9H13N5OS/c1-2-15-7-8(10)14-16-9(7)13-5-6-11-3-4-12-6/h3-4,13H,2,5H2,1H3,(H2,10,14)(H,11,12)
InChIKeyKQTYENKSPDLAER-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.46
Rot. Bonds5

About 4-ethoxy-5-N-(1H-imidazol-2-ylmethyl)-1,2-thiazole-3,5-diamine

4-ethoxy-5-N-(1H-imidazol-2-ylmethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103359710) has the molecular formula C9H13N5OS and a molecular weight of 239.30 g/mol. Its IUPAC name is 4-ethoxy-5-N-(1H-imidazol-2-ylmethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-ethoxy-5-N-(1H-imidazol-2-ylmethyl)-1,2-thiazole-3,5-diamine
PubChem CID103359710
Molecular FormulaC9H13N5OS
Molecular Weight239.30 g/mol
Exact Mass239.08
IUPAC Name4-ethoxy-5-N-(1H-imidazol-2-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1NCc1ncc[nH]1
InChIInChI=1S/C9H13N5OS/c1-2-15-7-8(10)14-16-9(7)13-5-6-11-3-4-12-6/h3-4,13H,2,5H2,1H3,(H2,10,14)(H,11,12)
InChIKeyKQTYENKSPDLAER-UHFFFAOYSA-N
XLogP1.46
TPSA88.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-(1H-imidazol-2-ylmethyl)-4-methyl-1,2-thiazole-3,5-diamine
CID 103359711
4-ethoxy-5-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103364283
5-N-(1H-imidazol-2-ylmethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103359706
4-ethoxy-5-N-[(2-methylpyrimidin-4-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103359216
4-ethoxy-5-N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-thiazole-3,5-diamine
CID 103364258
4-ethoxy-5-N-(3-methoxypropyl)-1,2-thiazole-3,5-diamine
CID 103363858
4-methoxy-5-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103383188
3-ethoxy-1-N-(1H-imidazol-2-ylmethyl)benzene-1,2-diamine
CID 113392707
5-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)amino]pentanamide
CID 114162925
5-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-ethoxy-1,2-thiazole-3,5-diamine
CID 103365012
4-ethoxy-5-N-(2-thiomorpholin-4-ylethyl)-1,2-thiazole-3,5-diamine
CID 106327712
4-ethoxy-5-N-hexan-3-yl-1,2-thiazole-3,5-diamine
CID 103360878

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-N-(1H-imidazol-2-ylmethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-ethoxy-5-N-(1H-imidazol-2-ylmethyl)-1,2-thiazole-3,5-diamine (CID 103359710) is 4-ethoxy-5-N-(1H-imidazol-2-ylmethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-ethoxy-5-N-(1H-imidazol-2-ylmethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-ethoxy-5-N-(1H-imidazol-2-ylmethyl)-1,2-thiazole-3,5-diamine is CCOc1c(N)nsc1NCc1ncc[nH]1.
What is the InChIKey of 4-ethoxy-5-N-(1H-imidazol-2-ylmethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is KQTYENKSPDLAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5OS/c1-2-15-7-8(10)14-16-9(7)13-5-6-11-3-4-12-6/h3-4,13H,2,5H2,1H3,(H2,10,14)(H,11,12).
What are the key properties of 4-ethoxy-5-N-(1H-imidazol-2-ylmethyl)-1,2-thiazole-3,5-diamine?
4-ethoxy-5-N-(1H-imidazol-2-ylmethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 239.30 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-N-(1H-imidazol-2-ylmethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).