N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide

C13H14N2O2S — CID 734065

IUPACN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc(-c2ccc(OC)cc2)cs1
InChIInChI=1S/C13H14N2O2S/c1-3-12(16)15-13-14-11(8-18-13)9-4-6-10(17-2)7-5-9/h4-8H,3H2,1-2H3,(H,14,15,16)
InChIKeyLZIMBIJMIDEEEZ-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.17
Rot. Bonds4

About N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 734065) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID734065
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc(-c2ccc(OC)cc2)cs1
InChIInChI=1S/C13H14N2O2S/c1-3-12(16)15-13-14-11(8-18-13)9-4-6-10(17-2)7-5-9/h4-8H,3H2,1-2H3,(H,14,15,16)
InChIKeyLZIMBIJMIDEEEZ-UHFFFAOYSA-N
XLogP3.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide (CID 734065) is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide is CCC(=O)Nc1nc(-c2ccc(OC)cc2)cs1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is LZIMBIJMIDEEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-3-12(16)15-13-14-11(8-18-13)9-4-6-10(17-2)7-5-9/h4-8H,3H2,1-2H3,(H,14,15,16).
What are the key properties of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 262.33 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 734065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).