1-(4-chloro-3-fluorophenyl)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol

C16H15ClFN3OS — CID 133430923

IUPAC1-(4-chloro-3-fluorophenyl)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESCCc1nc(NCC(O)c2ccc(Cl)c(F)c2)c2ccsc2n1
InChIInChI=1S/C16H15ClFN3OS/c1-2-14-20-15(10-5-6-23-16(10)21-14)19-8-13(22)9-3-4-11(17)12(18)7-9/h3-7,13,22H,2,8H2,1H3,(H,19,20,21)
InChIKeyCDOVURGHNNHDIJ-UHFFFAOYSA-N
MW351.83 g/mol
LogP4.19
Rot. Bonds5

About 1-(4-chloro-3-fluorophenyl)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol

1-(4-chloro-3-fluorophenyl)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol (PubChem CID 133430923) has the molecular formula C16H15ClFN3OS and a molecular weight of 351.83 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
PubChem CID133430923
Molecular FormulaC16H15ClFN3OS
Molecular Weight351.83 g/mol
Exact Mass351.06
IUPAC Name1-(4-chloro-3-fluorophenyl)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESCCc1nc(NCC(O)c2ccc(Cl)c(F)c2)c2ccsc2n1
InChIInChI=1S/C16H15ClFN3OS/c1-2-14-20-15(10-5-6-23-16(10)21-14)19-8-13(22)9-3-4-11(17)12(18)7-9/h3-7,13,22H,2,8H2,1H3,(H,19,20,21)
InChIKeyCDOVURGHNNHDIJ-UHFFFAOYSA-N
XLogP4.19
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-chloro-3-fluorophenyl)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol with MolForge

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Related Compounds

(1R)-1-(2,6-difluorophenyl)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 99776459
2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-thiophen-3-ylethanol
CID 133418146
1-(4-chloro-3-fluorophenyl)-2-[(4-methylpyrimidin-2-yl)amino]ethanol
CID 133411967
1-(4-chloro-3-fluorophenyl)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 133430857
1-(4-chloro-3-fluorophenyl)-2-(methylamino)ethanol
CID 62773520
4-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
CID 122058535
4-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 133415292
1-(4-chloro-3-fluorophenyl)-2-[(6-fluoro-2-pyridinyl)amino]ethanol
CID 133411980
1-(4-chloro-3-fluorophenyl)-2-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 133430861
1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutan-2-ol
CID 103322549
2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 133403664
2-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1,3-thiazole-5-sulfonamide
CID 133430912

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol (CID 133430923) is 1-(4-chloro-3-fluorophenyl)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol is CCc1nc(NCC(O)c2ccc(Cl)c(F)c2)c2ccsc2n1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The InChIKey is CDOVURGHNNHDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3OS/c1-2-14-20-15(10-5-6-23-16(10)21-14)19-8-13(22)9-3-4-11(17)12(18)7-9/h3-7,13,22H,2,8H2,1H3,(H,19,20,21).
What are the key properties of 1-(4-chloro-3-fluorophenyl)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
1-(4-chloro-3-fluorophenyl)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol has a molecular weight of 351.83 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 133430923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).