N-(4-ethoxyphenyl)-2-pyridin-4-yl-4,5-dihydro-1,3-thiazole-4-carboxamide

C17H17N3O2S — CID 3591780

IUPACN-(4-ethoxyphenyl)-2-pyridin-4-yl-4,5-dihydro-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)C2CSC(c3ccncc3)=N2)cc1
InChIInChI=1S/C17H17N3O2S/c1-2-22-14-5-3-13(4-6-14)19-16(21)15-11-23-17(20-15)12-7-9-18-10-8-12/h3-10,15H,2,11H2,1H3,(H,19,21)
InChIKeyUYGUUEVUUAJZFA-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.98
Rot. Bonds5

About N-(4-ethoxyphenyl)-2-pyridin-4-yl-4,5-dihydro-1,3-thiazole-4-carboxamide

N-(4-ethoxyphenyl)-2-pyridin-4-yl-4,5-dihydro-1,3-thiazole-4-carboxamide (PubChem CID 3591780) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-pyridin-4-yl-4,5-dihydro-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-pyridin-4-yl-4,5-dihydro-1,3-thiazole-4-carboxamide
PubChem CID3591780
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-(4-ethoxyphenyl)-2-pyridin-4-yl-4,5-dihydro-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)C2CSC(c3ccncc3)=N2)cc1
InChIInChI=1S/C17H17N3O2S/c1-2-22-14-5-3-13(4-6-14)19-16(21)15-11-23-17(20-15)12-7-9-18-10-8-12/h3-10,15H,2,11H2,1H3,(H,19,21)
InChIKeyUYGUUEVUUAJZFA-UHFFFAOYSA-N
XLogP2.98
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-pyridin-4-yl-4,5-dihydro-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-pyridin-4-yl-4,5-dihydro-1,3-thiazole-4-carboxamide (CID 3591780) is N-(4-ethoxyphenyl)-2-pyridin-4-yl-4,5-dihydro-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-pyridin-4-yl-4,5-dihydro-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-pyridin-4-yl-4,5-dihydro-1,3-thiazole-4-carboxamide is CCOc1ccc(NC(=O)C2CSC(c3ccncc3)=N2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-pyridin-4-yl-4,5-dihydro-1,3-thiazole-4-carboxamide?
The InChIKey is UYGUUEVUUAJZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-2-22-14-5-3-13(4-6-14)19-16(21)15-11-23-17(20-15)12-7-9-18-10-8-12/h3-10,15H,2,11H2,1H3,(H,19,21).
What are the key properties of N-(4-ethoxyphenyl)-2-pyridin-4-yl-4,5-dihydro-1,3-thiazole-4-carboxamide?
N-(4-ethoxyphenyl)-2-pyridin-4-yl-4,5-dihydro-1,3-thiazole-4-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-pyridin-4-yl-4,5-dihydro-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3591780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).