N-(4-ethoxyphenyl)-1,3-thiazol-2-amine

C11H12N2OS — CID 956693

IUPACN-(4-ethoxyphenyl)-1,3-thiazol-2-amine
SMILESCCOc1ccc(Nc2nccs2)cc1
InChIInChI=1S/C11H12N2OS/c1-2-14-10-5-3-9(4-6-10)13-11-12-7-8-15-11/h3-8H,2H2,1H3,(H,12,13)
InChIKeyRDTUMJZIVVIWQW-UHFFFAOYSA-N
MW220.30 g/mol
LogP3.29
Rot. Bonds4

About N-(4-ethoxyphenyl)-1,3-thiazol-2-amine

N-(4-ethoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 956693) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1,3-thiazol-2-amine
PubChem CID956693
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC NameN-(4-ethoxyphenyl)-1,3-thiazol-2-amine
SMILESCCOc1ccc(Nc2nccs2)cc1
InChIInChI=1S/C11H12N2OS/c1-2-14-10-5-3-9(4-6-10)13-11-12-7-8-15-11/h3-8H,2H2,1H3,(H,12,13)
InChIKeyRDTUMJZIVVIWQW-UHFFFAOYSA-N
XLogP3.29
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(4-ethoxyphenyl)-1,3-thiazol-2-amine (CID 956693) is N-(4-ethoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-ethoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-ethoxyphenyl)-1,3-thiazol-2-amine is CCOc1ccc(Nc2nccs2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is RDTUMJZIVVIWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-2-14-10-5-3-9(4-6-10)13-11-12-7-8-15-11/h3-8H,2H2,1H3,(H,12,13).
What are the key properties of N-(4-ethoxyphenyl)-1,3-thiazol-2-amine?
N-(4-ethoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 220.30 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 956693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).