1-(furan-3-yl)-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-thiophen-2-ylethanol

C16H15N5O2S — CID 155801132

IUPAC1-(furan-3-yl)-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-thiophen-2-ylethanol
SMILESCc1cc(NCC(O)(c2ccoc2)c2cccs2)n2ncnc2n1
InChIInChI=1S/C16H15N5O2S/c1-11-7-14(21-15(20-11)18-10-19-21)17-9-16(22,12-4-5-23-8-12)13-3-2-6-24-13/h2-8,10,17,22H,9H2,1H3
InChIKeyADRGTXUAAGTKSN-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.44
Rot. Bonds5

About 1-(furan-3-yl)-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-thiophen-2-ylethanol

1-(furan-3-yl)-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-thiophen-2-ylethanol (PubChem CID 155801132) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is 1-(furan-3-yl)-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name1-(furan-3-yl)-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-thiophen-2-ylethanol
PubChem CID155801132
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC Name1-(furan-3-yl)-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-thiophen-2-ylethanol
SMILESCc1cc(NCC(O)(c2ccoc2)c2cccs2)n2ncnc2n1
InChIInChI=1S/C16H15N5O2S/c1-11-7-14(21-15(20-11)18-10-19-21)17-9-16(22,12-4-5-23-8-12)13-3-2-6-24-13/h2-8,10,17,22H,9H2,1H3
InChIKeyADRGTXUAAGTKSN-UHFFFAOYSA-N
XLogP2.44
TPSA88.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-(furan-3-yl)-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-thiophen-2-ylethanol with MolForge

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Related Compounds

5-chloro-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102919020
N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]methanesulfonamide
CID 124727787
N'-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide
CID 129418002
N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-4-methylthiadiazole-5-carboxamide
CID 121018444
2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenol
CID 115598697
N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 124759827
1-(furan-3-yl)-1-thiophen-2-ylethanol
CID 63947725
ethyl 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetate
CID 60810672
N-[(2R)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]cyclopropanecarboxamide
CID 124891349
N-(2,2-diphenylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 3228693
N-[2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-benzothiophene-2-carboxamide
CID 119101200
N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide
CID 124728029

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-thiophen-2-ylethanol?
The IUPAC name of 1-(furan-3-yl)-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-thiophen-2-ylethanol (CID 155801132) is 1-(furan-3-yl)-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-thiophen-2-ylethanol.
What is the SMILES notation for 1-(furan-3-yl)-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-thiophen-2-ylethanol?
The canonical SMILES for 1-(furan-3-yl)-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-thiophen-2-ylethanol is Cc1cc(NCC(O)(c2ccoc2)c2cccs2)n2ncnc2n1.
What is the InChIKey of 1-(furan-3-yl)-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-thiophen-2-ylethanol?
The InChIKey is ADRGTXUAAGTKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c1-11-7-14(21-15(20-11)18-10-19-21)17-9-16(22,12-4-5-23-8-12)13-3-2-6-24-13/h2-8,10,17,22H,9H2,1H3.
What are the key properties of 1-(furan-3-yl)-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-thiophen-2-ylethanol?
1-(furan-3-yl)-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-thiophen-2-ylethanol has a molecular weight of 341.40 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-thiophen-2-ylethanol is sourced from PubChem (CID 155801132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).