N-[2-(4-hydroxyphenyl)ethyl]-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide

C17H16N4O2S — CID 117085541

IUPACN-[2-(4-hydroxyphenyl)ethyl]-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1cnc(Nc2ccncc2)s1
InChIInChI=1S/C17H16N4O2S/c22-14-3-1-12(2-4-14)5-10-19-16(23)15-11-20-17(24-15)21-13-6-8-18-9-7-13/h1-4,6-9,11,22H,5,10H2,(H,19,23)(H,18,20,21)
InChIKeyZSJDPGJOLRNIFT-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.96
Rot. Bonds6

About N-[2-(4-hydroxyphenyl)ethyl]-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide

N-[2-(4-hydroxyphenyl)ethyl]-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide (PubChem CID 117085541) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide
PubChem CID117085541
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1cnc(Nc2ccncc2)s1
InChIInChI=1S/C17H16N4O2S/c22-14-3-1-12(2-4-14)5-10-19-16(23)15-11-20-17(24-15)21-13-6-8-18-9-7-13/h1-4,6-9,11,22H,5,10H2,(H,19,23)(H,18,20,21)
InChIKeyZSJDPGJOLRNIFT-UHFFFAOYSA-N
XLogP2.96
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-phenoxyethyl)-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide
CID 117089144
ethyl 2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxylate
CID 143301188
5-(ethylamino)-N-[2-(4-hydroxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80614957
N-[2-(4-methoxyphenyl)ethyl]-2-[(1-methylbenzimidazol-2-yl)amino]-1,3-thiazole-5-carboxamide
CID 117092091
3-[2-(4-hydroxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 39310617
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 117091607
2-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110852278
3-hydrazinyl-N-[2-(4-hydroxyphenyl)ethyl]pyridine-4-carboxamide
CID 105071676
N-[2-(4-hydroxyphenyl)ethyl]-5-(6-methoxy-3-pyridinyl)thiophene-2-carboxamide
CID 117088911
N-(4-morpholin-4-ylphenyl)-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide
CID 117084517
N-[2-(ethylamino)ethyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 119505049
N-[2-(4-hydroxyphenyl)ethyl]-5-(methylamino)pyridine-2-carboxamide
CID 104640447

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide (CID 117085541) is N-[2-(4-hydroxyphenyl)ethyl]-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide is O=C(NCCc1ccc(O)cc1)c1cnc(Nc2ccncc2)s1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is ZSJDPGJOLRNIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c22-14-3-1-12(2-4-14)5-10-19-16(23)15-11-20-17(24-15)21-13-6-8-18-9-7-13/h1-4,6-9,11,22H,5,10H2,(H,19,23)(H,18,20,21).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide?
N-[2-(4-hydroxyphenyl)ethyl]-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117085541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).