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

C16H15N5O2S — CID 117083558

IUPACN-(2-phenoxyethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide
SMILESO=C(NCCOc1ccccc1)c1cnc(Nc2ccncn2)s1
InChIInChI=1S/C16H15N5O2S/c22-15(18-8-9-23-12-4-2-1-3-5-12)13-10-19-16(24-13)21-14-6-7-17-11-20-14/h1-7,10-11H,8-9H2,(H,18,22)(H,17,19,20,21)
InChIKeyRHEXCGYZNBGYED-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.49
Rot. Bonds7

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

N-(2-phenoxyethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide (PubChem CID 117083558) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide
PubChem CID117083558
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC NameN-(2-phenoxyethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide
SMILESO=C(NCCOc1ccccc1)c1cnc(Nc2ccncn2)s1
InChIInChI=1S/C16H15N5O2S/c22-15(18-8-9-23-12-4-2-1-3-5-12)13-10-19-16(24-13)21-14-6-7-17-11-20-14/h1-7,10-11H,8-9H2,(H,18,22)(H,17,19,20,21)
InChIKeyRHEXCGYZNBGYED-UHFFFAOYSA-N
XLogP2.49
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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
N-(pyridin-3-ylmethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide
CID 117090055
2-[(4-hydroxycyclohexyl)amino]-N-(2-phenoxyethyl)-1,3-thiazole-5-carboxamide
CID 117082676
N-phenyl-2-(pyrazin-2-ylamino)-1,3-thiazole-5-carboxamide
CID 117093775
3-fluoro-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 115645467
N-(2-phenoxyethyl)-2-(pyridin-4-ylamino)-1,3-thiazole-4-carboxamide
CID 117088609
N-(2-phenoxyethyl)-3-(pyrazin-2-ylamino)benzamide
CID 117092864
N-(3-pyridin-4-yloxypropyl)thiophene-2-carboxamide
CID 15231495
4-ethyl-5-methyl-N-(2-phenoxyethyl)thiophene-2-carboxamide
CID 32933112
N-[2-(4-hydroxyphenyl)ethyl]-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide
CID 117085541
N-(2-phenoxyethyl)-1,3-thiazole-4-carboxamide
CID 63049091
ethyl 2-[(6-anilinopyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate
CID 141349333

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-phenoxyethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide (CID 117083558) is N-(2-phenoxyethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-phenoxyethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-phenoxyethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide is O=C(NCCOc1ccccc1)c1cnc(Nc2ccncn2)s1.
What is the InChIKey of N-(2-phenoxyethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is RHEXCGYZNBGYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c22-15(18-8-9-23-12-4-2-1-3-5-12)13-10-19-16(24-13)21-14-6-7-17-11-20-14/h1-7,10-11H,8-9H2,(H,18,22)(H,17,19,20,21).
What are the key properties of N-(2-phenoxyethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide?
N-(2-phenoxyethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 341.40 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117083558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).