N-(2-phenoxyethyl)-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide

C17H16N4O2S — CID 117089144

IUPACN-(2-phenoxyethyl)-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide
SMILESO=C(NCCOc1ccccc1)c1cnc(Nc2ccncc2)s1
InChIInChI=1S/C17H16N4O2S/c22-16(19-10-11-23-14-4-2-1-3-5-14)15-12-20-17(24-15)21-13-6-8-18-9-7-13/h1-9,12H,10-11H2,(H,19,22)(H,18,20,21)
InChIKeyUJJYVUWRCIKDQW-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.09
Rot. Bonds7

About N-(2-phenoxyethyl)-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide

N-(2-phenoxyethyl)-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide (PubChem CID 117089144) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide
PubChem CID117089144
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN-(2-phenoxyethyl)-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide
SMILESO=C(NCCOc1ccccc1)c1cnc(Nc2ccncc2)s1
InChIInChI=1S/C17H16N4O2S/c22-16(19-10-11-23-14-4-2-1-3-5-14)15-12-20-17(24-15)21-13-6-8-18-9-7-13/h1-9,12H,10-11H2,(H,19,22)(H,18,20,21)
InChIKeyUJJYVUWRCIKDQW-UHFFFAOYSA-N
XLogP3.09
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenoxyethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide
CID 117083558
N-(2-phenoxyethyl)-2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxamide
CID 117088609
N-[2-(4-hydroxyphenyl)ethyl]-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide
CID 117085541
2-[(4-hydroxycyclohexyl)amino]-N-(2-phenoxyethyl)-1,3-thiazole-5-carboxamide
CID 117082676
ethyl 2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxylate
CID 143301188
3-fluoro-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 115645467
N-(3-pyridin-4-yloxypropyl)thiophene-2-carboxamide
CID 15231495
methyl 2-(4-propoxyanilino)-1,3-thiazole-5-carboxylate
CID 80571492
N-phenyl-2-(pyrazin-2-ylamino)-1,3-thiazole-5-carboxamide
CID 117093775
N-[2-(4-methylphenoxy)ethyl]-4-(pyridin-4-ylamino)benzamide
CID 166210170
N-(2-phenoxyethyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78846484
N-(2-phenoxyethyl)-3-(pyrazin-2-ylamino)benzamide
CID 117092864

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-phenoxyethyl)-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide (CID 117089144) is N-(2-phenoxyethyl)-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-phenoxyethyl)-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-phenoxyethyl)-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide is O=C(NCCOc1ccccc1)c1cnc(Nc2ccncc2)s1.
What is the InChIKey of N-(2-phenoxyethyl)-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is UJJYVUWRCIKDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c22-16(19-10-11-23-14-4-2-1-3-5-14)15-12-20-17(24-15)21-13-6-8-18-9-7-13/h1-9,12H,10-11H2,(H,19,22)(H,18,20,21).
What are the key properties of N-(2-phenoxyethyl)-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide?
N-(2-phenoxyethyl)-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117089144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).