5-N-(2-phenoxyethyl)-1,2-thiazole-3,5-diamine

C11H13N3OS — CID 103360202

IUPAC5-N-(2-phenoxyethyl)-1,2-thiazole-3,5-diamine
SMILESNc1cc(NCCOc2ccccc2)sn1
InChIInChI=1S/C11H13N3OS/c12-10-8-11(16-14-10)13-6-7-15-9-4-2-1-3-5-9/h1-5,8,13H,6-7H2,(H2,12,14)
InChIKeyDLRWCEMKIIPZEU-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.22
Rot. Bonds5

About 5-N-(2-phenoxyethyl)-1,2-thiazole-3,5-diamine

5-N-(2-phenoxyethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103360202) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 5-N-(2-phenoxyethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-phenoxyethyl)-1,2-thiazole-3,5-diamine
PubChem CID103360202
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name5-N-(2-phenoxyethyl)-1,2-thiazole-3,5-diamine
SMILESNc1cc(NCCOc2ccccc2)sn1
InChIInChI=1S/C11H13N3OS/c12-10-8-11(16-14-10)13-6-7-15-9-4-2-1-3-5-9/h1-5,8,13H,6-7H2,(H2,12,14)
InChIKeyDLRWCEMKIIPZEU-UHFFFAOYSA-N
XLogP2.22
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-(2-phenoxyethyl)-1,2,4-thiadiazol-5-amine
CID 65267869
2-N-(2-phenoxyethyl)benzene-1,2-diamine
CID 2295787
4-N-(2-phenoxyethyl)benzene-1,2,4-triamine
CID 106750634
2-cyclopropyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine
CID 80961915
3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133
6-hydrazinyl-N-(2-phenoxyethyl)pyrimidin-4-amine
CID 80901369
3-amino-N-methyl-5-(2-phenoxyethylamino)-1,2-thiazole-4-carboxamide
CID 103379210
4-bromo-5-fluoro-1-N-(2-phenoxyethyl)benzene-1,2-diamine
CID 66110147
ethyl 3-amino-5-(2-phenoxyethylamino)-1,2-thiazole-4-carboxylate
CID 103379207
5-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 106412755
4-N-(2-phenoxyethyl)quinazoline-2,4-diamine
CID 80791774
4-methoxy-N-(2-phenoxyethyl)aniline
CID 39347663

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-phenoxyethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(2-phenoxyethyl)-1,2-thiazole-3,5-diamine (CID 103360202) is 5-N-(2-phenoxyethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2-phenoxyethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2-phenoxyethyl)-1,2-thiazole-3,5-diamine is Nc1cc(NCCOc2ccccc2)sn1.
What is the InChIKey of 5-N-(2-phenoxyethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is DLRWCEMKIIPZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c12-10-8-11(16-14-10)13-6-7-15-9-4-2-1-3-5-9/h1-5,8,13H,6-7H2,(H2,12,14).
What are the key properties of 5-N-(2-phenoxyethyl)-1,2-thiazole-3,5-diamine?
5-N-(2-phenoxyethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 235.31 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-phenoxyethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).