[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylphenyl]methanol

C14H12N2OS2 — CID 102686786

IUPAC[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylphenyl]methanol
SMILESCc1csc2c(Sc3ccc(CO)cc3)ncnc12
InChIInChI=1S/C14H12N2OS2/c1-9-7-18-13-12(9)15-8-16-14(13)19-11-4-2-10(6-17)3-5-11/h2-5,7-8,17H,6H2,1H3
InChIKeyWIDARDQOZKAONS-UHFFFAOYSA-N
MW288.40 g/mol
LogP3.64
Rot. Bonds3

About [4-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylphenyl]methanol

[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylphenyl]methanol (PubChem CID 102686786) has the molecular formula C14H12N2OS2 and a molecular weight of 288.40 g/mol. Its IUPAC name is [4-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylphenyl]methanol.

Molecular Properties

Compound Name[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylphenyl]methanol
PubChem CID102686786
Molecular FormulaC14H12N2OS2
Molecular Weight288.40 g/mol
Exact Mass288.04
IUPAC Name[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylphenyl]methanol
SMILESCc1csc2c(Sc3ccc(CO)cc3)ncnc12
InChIInChI=1S/C14H12N2OS2/c1-9-7-18-13-12(9)15-8-16-14(13)19-11-4-2-10(6-17)3-5-11/h2-5,7-8,17H,6H2,1H3
InChIKeyWIDARDQOZKAONS-UHFFFAOYSA-N
XLogP3.64
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylphenyl]methanol with MolForge

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Related Compounds

4-[(4-chlorophenyl)methylsulfanyl]-7-methylthieno[3,2-d]pyrimidine
CID 3824853
4-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylthiophene-2-carboxylic acid
CID 102686163
2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylbenzoic acid
CID 102686148
3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropanoic acid
CID 102686145
2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylbutanoic acid
CID 102686173
2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,3-diol
CID 102686545
4,7-dimethylthieno[3,2-d]pyrimidine;ethane
CID 143718970
4,7-dimethylthieno[3,2-d]pyrimidine;ethane
CID 143718992
7-methyl-N-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine
CID 102686243
ethyl 2-[2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylanilino]-2-oxoacetate
CID 2777592
2,2,2-trifluoro-N-[2-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylphenyl]acetamide
CID 3828425
2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol
CID 102686263

Frequently Asked Questions

What is the IUPAC name of [4-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylphenyl]methanol?
The IUPAC name of [4-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylphenyl]methanol (CID 102686786) is [4-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylphenyl]methanol.
What is the SMILES notation for [4-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylphenyl]methanol?
The canonical SMILES for [4-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylphenyl]methanol is Cc1csc2c(Sc3ccc(CO)cc3)ncnc12.
What is the InChIKey of [4-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylphenyl]methanol?
The InChIKey is WIDARDQOZKAONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS2/c1-9-7-18-13-12(9)15-8-16-14(13)19-11-4-2-10(6-17)3-5-11/h2-5,7-8,17H,6H2,1H3.
What are the key properties of [4-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylphenyl]methanol?
[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylphenyl]methanol has a molecular weight of 288.40 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylphenyl]methanol is sourced from PubChem (CID 102686786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).