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

C17H16N4O2S — CID 117088609

IUPACN-(2-phenoxyethyl)-2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxamide
SMILESO=C(NCCOc1ccccc1)c1csc(Nc2ccncc2)n1
InChIInChI=1S/C17H16N4O2S/c22-16(19-10-11-23-14-4-2-1-3-5-14)15-12-24-17(21-15)20-13-6-8-18-9-7-13/h1-9,12H,10-11H2,(H,19,22)(H,18,20,21)
InChIKeyPYIYXYIDSBPDSW-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.09
Rot. Bonds7

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

N-(2-phenoxyethyl)-2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 117088609) 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-4-carboxamide.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID117088609
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN-(2-phenoxyethyl)-2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxamide
SMILESO=C(NCCOc1ccccc1)c1csc(Nc2ccncc2)n1
InChIInChI=1S/C17H16N4O2S/c22-16(19-10-11-23-14-4-2-1-3-5-14)15-12-24-17(21-15)20-13-6-8-18-9-7-13/h1-9,12H,10-11H2,(H,19,22)(H,18,20,21)
InChIKeyPYIYXYIDSBPDSW-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-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide
CID 117089144
2-(4-ethoxyanilino)-N-propyl-1,3-thiazole-4-carboxamide
CID 16954831
2-[(2-anilino-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 42813690
2-anilino-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 30860119
2-(4-methoxyanilino)-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 42813235
2-(4-methoxyanilino)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 42813234
N-(2-phenoxyethyl)-1,3-thiazole-4-carboxamide
CID 63049091
2-anilino-N-[2-[di(propan-2-yl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 117085099
2-(4-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 3978833
2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 46079084
2-(4-butoxyanilino)-1,3-thiazole-4-carboxylic acid
CID 82030619
3-[[2-(4-fluoroanilino)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 42813686

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-phenoxyethyl)-2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxamide (CID 117088609) is N-(2-phenoxyethyl)-2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-phenoxyethyl)-2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-phenoxyethyl)-2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxamide is O=C(NCCOc1ccccc1)c1csc(Nc2ccncc2)n1.
What is the InChIKey of N-(2-phenoxyethyl)-2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is PYIYXYIDSBPDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c22-16(19-10-11-23-14-4-2-1-3-5-14)15-12-24-17(21-15)20-13-6-8-18-9-7-13/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-4-carboxamide?
N-(2-phenoxyethyl)-2-(pyridin-4-ylamino)-1,3-thiazole-4-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-4-carboxamide is sourced from PubChem (CID 117088609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).