5-(2-ethoxyphenyl)-N-propyl-1,3-thiazol-2-amine

C14H18N2OS — CID 116812124

IUPAC5-(2-ethoxyphenyl)-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(-c2ccccc2OCC)s1
InChIInChI=1S/C14H18N2OS/c1-3-9-15-14-16-10-13(18-14)11-7-5-6-8-12(11)17-4-2/h5-8,10H,3-4,9H2,1-2H3,(H,15,16)
InChIKeyYMBAKSDKTWLZEF-UHFFFAOYSA-N
MW262.38 g/mol
LogP4.03
Rot. Bonds6

About 5-(2-ethoxyphenyl)-N-propyl-1,3-thiazol-2-amine

5-(2-ethoxyphenyl)-N-propyl-1,3-thiazol-2-amine (PubChem CID 116812124) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 5-(2-ethoxyphenyl)-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-ethoxyphenyl)-N-propyl-1,3-thiazol-2-amine
PubChem CID116812124
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name5-(2-ethoxyphenyl)-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(-c2ccccc2OCC)s1
InChIInChI=1S/C14H18N2OS/c1-3-9-15-14-16-10-13(18-14)11-7-5-6-8-12(11)17-4-2/h5-8,10H,3-4,9H2,1-2H3,(H,15,16)
InChIKeyYMBAKSDKTWLZEF-UHFFFAOYSA-N
XLogP4.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyphenyl)-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-ethoxyphenyl)-N-propyl-1,3-thiazol-2-amine (CID 116812124) is 5-(2-ethoxyphenyl)-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-ethoxyphenyl)-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-ethoxyphenyl)-N-propyl-1,3-thiazol-2-amine is CCCNc1ncc(-c2ccccc2OCC)s1.
What is the InChIKey of 5-(2-ethoxyphenyl)-N-propyl-1,3-thiazol-2-amine?
The InChIKey is YMBAKSDKTWLZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-3-9-15-14-16-10-13(18-14)11-7-5-6-8-12(11)17-4-2/h5-8,10H,3-4,9H2,1-2H3,(H,15,16).
What are the key properties of 5-(2-ethoxyphenyl)-N-propyl-1,3-thiazol-2-amine?
5-(2-ethoxyphenyl)-N-propyl-1,3-thiazol-2-amine has a molecular weight of 262.38 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyphenyl)-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 116812124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).