(2S)-2-methyl-3-[(4-methylquinazolin-2-yl)methylsulfanyl]propan-1-ol

C14H18N2OS — CID 95968629

IUPAC(2S)-2-methyl-3-[(4-methylquinazolin-2-yl)methylsulfanyl]propan-1-ol
SMILESCc1nc(CSC[C@@H](C)CO)nc2ccccc12
InChIInChI=1S/C14H18N2OS/c1-10(7-17)8-18-9-14-15-11(2)12-5-3-4-6-13(12)16-14/h3-6,10,17H,7-9H2,1-2H3/t10-/m0/s1
InChIKeyQEUBHPSQQVFBAH-JTQLQIEISA-N
MW262.38 g/mol
LogP2.80
Rot. Bonds5

About (2S)-2-methyl-3-[(4-methylquinazolin-2-yl)methylsulfanyl]propan-1-ol

(2S)-2-methyl-3-[(4-methylquinazolin-2-yl)methylsulfanyl]propan-1-ol (PubChem CID 95968629) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is (2S)-2-methyl-3-[(4-methylquinazolin-2-yl)methylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-methyl-3-[(4-methylquinazolin-2-yl)methylsulfanyl]propan-1-ol
PubChem CID95968629
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name(2S)-2-methyl-3-[(4-methylquinazolin-2-yl)methylsulfanyl]propan-1-ol
SMILESCc1nc(CSC[C@@H](C)CO)nc2ccccc12
InChIInChI=1S/C14H18N2OS/c1-10(7-17)8-18-9-14-15-11(2)12-5-3-4-6-13(12)16-14/h3-6,10,17H,7-9H2,1-2H3/t10-/m0/s1
InChIKeyQEUBHPSQQVFBAH-JTQLQIEISA-N
XLogP2.80
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-3-[(4-methylquinazolin-2-yl)methylsulfanyl]propan-1-ol?
The IUPAC name of (2S)-2-methyl-3-[(4-methylquinazolin-2-yl)methylsulfanyl]propan-1-ol (CID 95968629) is (2S)-2-methyl-3-[(4-methylquinazolin-2-yl)methylsulfanyl]propan-1-ol.
What is the SMILES notation for (2S)-2-methyl-3-[(4-methylquinazolin-2-yl)methylsulfanyl]propan-1-ol?
The canonical SMILES for (2S)-2-methyl-3-[(4-methylquinazolin-2-yl)methylsulfanyl]propan-1-ol is Cc1nc(CSC[C@@H](C)CO)nc2ccccc12.
What is the InChIKey of (2S)-2-methyl-3-[(4-methylquinazolin-2-yl)methylsulfanyl]propan-1-ol?
The InChIKey is QEUBHPSQQVFBAH-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10(7-17)8-18-9-14-15-11(2)12-5-3-4-6-13(12)16-14/h3-6,10,17H,7-9H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-2-methyl-3-[(4-methylquinazolin-2-yl)methylsulfanyl]propan-1-ol?
(2S)-2-methyl-3-[(4-methylquinazolin-2-yl)methylsulfanyl]propan-1-ol has a molecular weight of 262.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-3-[(4-methylquinazolin-2-yl)methylsulfanyl]propan-1-ol is sourced from PubChem (CID 95968629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).