1-phenyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol

C17H18N2OS2 — CID 42887380

IUPAC1-phenyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol
SMILESCc1nc(SCC(O)c2ccccc2)c2c(C)c(C)sc2n1
InChIInChI=1S/C17H18N2OS2/c1-10-11(2)22-17-15(10)16(18-12(3)19-17)21-9-14(20)13-7-5-4-6-8-13/h4-8,14,20H,9H2,1-3H3
InChIKeyHWHHLAQYHLYICF-UHFFFAOYSA-N
MW330.48 g/mol
LogP4.44
Rot. Bonds4

About 1-phenyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol

1-phenyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol (PubChem CID 42887380) has the molecular formula C17H18N2OS2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 1-phenyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol.

Molecular Properties

Compound Name1-phenyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol
PubChem CID42887380
Molecular FormulaC17H18N2OS2
Molecular Weight330.48 g/mol
Exact Mass330.09
IUPAC Name1-phenyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol
SMILESCc1nc(SCC(O)c2ccccc2)c2c(C)c(C)sc2n1
InChIInChI=1S/C17H18N2OS2/c1-10-11(2)22-17-15(10)16(18-12(3)19-17)21-9-14(20)13-7-5-4-6-8-13/h4-8,14,20H,9H2,1-3H3
InChIKeyHWHHLAQYHLYICF-UHFFFAOYSA-N
XLogP4.44
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-methyl-3-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanenitrile
CID 8952049
2-phenyl-N-[2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]acetamide
CID 16567188
N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 7680672
1-(4-phenylpiperazin-1-yl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 4821831
propan-2-yl 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
CID 858933
5-phenyl-2-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-oxazole
CID 2563242
(2-anilino-2-oxoethyl) 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
CID 7743088
N-(2-iodophenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 41213688
N-(2-fluorophenyl)-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 1076016
1-(2-chlorophenyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol
CID 112839907
4-[(3-bromophenyl)methylsulfanyl]-2,5,6-trimethylthieno[2,3-d]pyrimidine
CID 7362769
4-(3-bromopropylsulfanyl)-2,5,6-trimethylthieno[2,3-d]pyrimidine
CID 82027844

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol?
The IUPAC name of 1-phenyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol (CID 42887380) is 1-phenyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol.
What is the SMILES notation for 1-phenyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol?
The canonical SMILES for 1-phenyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol is Cc1nc(SCC(O)c2ccccc2)c2c(C)c(C)sc2n1.
What is the InChIKey of 1-phenyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol?
The InChIKey is HWHHLAQYHLYICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS2/c1-10-11(2)22-17-15(10)16(18-12(3)19-17)21-9-14(20)13-7-5-4-6-8-13/h4-8,14,20H,9H2,1-3H3.
What are the key properties of 1-phenyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol?
1-phenyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol has a molecular weight of 330.48 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol is sourced from PubChem (CID 42887380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).