4-ethoxy-5-N-[1-(4-methylphenoxy)propan-2-yl]-1,2-thiazole-3,5-diamine

C15H21N3O2S — CID 103359367

IUPAC4-ethoxy-5-N-[1-(4-methylphenoxy)propan-2-yl]-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1NC(C)COc1ccc(C)cc1
InChIInChI=1S/C15H21N3O2S/c1-4-19-13-14(16)18-21-15(13)17-11(3)9-20-12-7-5-10(2)6-8-12/h5-8,11,17H,4,9H2,1-3H3,(H2,16,18)
InChIKeyDSLRHDKNINCLAO-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.31
Rot. Bonds7

About 4-ethoxy-5-N-[1-(4-methylphenoxy)propan-2-yl]-1,2-thiazole-3,5-diamine

4-ethoxy-5-N-[1-(4-methylphenoxy)propan-2-yl]-1,2-thiazole-3,5-diamine (PubChem CID 103359367) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 4-ethoxy-5-N-[1-(4-methylphenoxy)propan-2-yl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-ethoxy-5-N-[1-(4-methylphenoxy)propan-2-yl]-1,2-thiazole-3,5-diamine
PubChem CID103359367
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name4-ethoxy-5-N-[1-(4-methylphenoxy)propan-2-yl]-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1NC(C)COc1ccc(C)cc1
InChIInChI=1S/C15H21N3O2S/c1-4-19-13-14(16)18-21-15(13)17-11(3)9-20-12-7-5-10(2)6-8-12/h5-8,11,17H,4,9H2,1-3H3,(H2,16,18)
InChIKeyDSLRHDKNINCLAO-UHFFFAOYSA-N
XLogP3.31
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-N-[1-(4-methylphenoxy)propan-2-yl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-ethoxy-5-N-[1-(4-methylphenoxy)propan-2-yl]-1,2-thiazole-3,5-diamine (CID 103359367) is 4-ethoxy-5-N-[1-(4-methylphenoxy)propan-2-yl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-ethoxy-5-N-[1-(4-methylphenoxy)propan-2-yl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-ethoxy-5-N-[1-(4-methylphenoxy)propan-2-yl]-1,2-thiazole-3,5-diamine is CCOc1c(N)nsc1NC(C)COc1ccc(C)cc1.
What is the InChIKey of 4-ethoxy-5-N-[1-(4-methylphenoxy)propan-2-yl]-1,2-thiazole-3,5-diamine?
The InChIKey is DSLRHDKNINCLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-4-19-13-14(16)18-21-15(13)17-11(3)9-20-12-7-5-10(2)6-8-12/h5-8,11,17H,4,9H2,1-3H3,(H2,16,18).
What are the key properties of 4-ethoxy-5-N-[1-(4-methylphenoxy)propan-2-yl]-1,2-thiazole-3,5-diamine?
4-ethoxy-5-N-[1-(4-methylphenoxy)propan-2-yl]-1,2-thiazole-3,5-diamine has a molecular weight of 307.42 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-N-[1-(4-methylphenoxy)propan-2-yl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).