5-(4-propoxyphenyl)-1,3-thiazol-2-amine

C12H14N2OS — CID 2215607

IUPAC5-(4-propoxyphenyl)-1,3-thiazol-2-amine
SMILESCCCOc1ccc(-c2cnc(N)s2)cc1
InChIInChI=1S/C12H14N2OS/c1-2-7-15-10-5-3-9(4-6-10)11-8-14-12(13)16-11/h3-6,8H,2,7H2,1H3,(H2,13,14)
InChIKeyGVMLVISBGISTOX-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.18
Rot. Bonds4

About 5-(4-propoxyphenyl)-1,3-thiazol-2-amine

5-(4-propoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 2215607) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 5-(4-propoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(4-propoxyphenyl)-1,3-thiazol-2-amine
PubChem CID2215607
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name5-(4-propoxyphenyl)-1,3-thiazol-2-amine
SMILESCCCOc1ccc(-c2cnc(N)s2)cc1
InChIInChI=1S/C12H14N2OS/c1-2-7-15-10-5-3-9(4-6-10)11-8-14-12(13)16-11/h3-6,8H,2,7H2,1H3,(H2,13,14)
InChIKeyGVMLVISBGISTOX-UHFFFAOYSA-N
XLogP3.18
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-propoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(4-propoxyphenyl)-1,3-thiazol-2-amine (CID 2215607) is 5-(4-propoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(4-propoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(4-propoxyphenyl)-1,3-thiazol-2-amine is CCCOc1ccc(-c2cnc(N)s2)cc1.
What is the InChIKey of 5-(4-propoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is GVMLVISBGISTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-2-7-15-10-5-3-9(4-6-10)11-8-14-12(13)16-11/h3-6,8H,2,7H2,1H3,(H2,13,14).
What are the key properties of 5-(4-propoxyphenyl)-1,3-thiazol-2-amine?
5-(4-propoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 234.32 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2215607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).