2-(4-ethoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide

C15H18N2O2S — CID 46065699

IUPAC2-(4-ethoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(-c2nc(C(=O)NC(C)C)cs2)cc1
InChIInChI=1S/C15H18N2O2S/c1-4-19-12-7-5-11(6-8-12)15-17-13(9-20-15)14(18)16-10(2)3/h5-10H,4H2,1-3H3,(H,16,18)
InChIKeyQDMXCRCVGKBRRA-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.35
Rot. Bonds5

About 2-(4-ethoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide

2-(4-ethoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 46065699) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID46065699
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2-(4-ethoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(-c2nc(C(=O)NC(C)C)cs2)cc1
InChIInChI=1S/C15H18N2O2S/c1-4-19-12-7-5-11(6-8-12)15-17-13(9-20-15)14(18)16-10(2)3/h5-10H,4H2,1-3H3,(H,16,18)
InChIKeyQDMXCRCVGKBRRA-UHFFFAOYSA-N
XLogP3.35
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide (CID 46065699) is 2-(4-ethoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide is CCOc1ccc(-c2nc(C(=O)NC(C)C)cs2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is QDMXCRCVGKBRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-4-19-12-7-5-11(6-8-12)15-17-13(9-20-15)14(18)16-10(2)3/h5-10H,4H2,1-3H3,(H,16,18).
What are the key properties of 2-(4-ethoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide?
2-(4-ethoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46065699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).