2-fluoro-4-methyl-[1]benzothiolo[3,2-d]pyrimidine

C11H7FN2S — CID 118245250

IUPAC2-fluoro-4-methyl-[1]benzothiolo[3,2-d]pyrimidine
SMILESCc1nc(F)nc2c1sc1ccccc12
InChIInChI=1S/C11H7FN2S/c1-6-10-9(14-11(12)13-6)7-4-2-3-5-8(7)15-10/h2-5H,1H3
InChIKeyBVLXMPFXFGVVAM-UHFFFAOYSA-N
MW218.26 g/mol
LogP3.29
Rot. Bonds

About 2-fluoro-4-methyl-[1]benzothiolo[3,2-d]pyrimidine

2-fluoro-4-methyl-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 118245250) has the molecular formula C11H7FN2S and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-fluoro-4-methyl-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-fluoro-4-methyl-[1]benzothiolo[3,2-d]pyrimidine
PubChem CID118245250
Molecular FormulaC11H7FN2S
Molecular Weight218.26 g/mol
Exact Mass218.03
IUPAC Name2-fluoro-4-methyl-[1]benzothiolo[3,2-d]pyrimidine
SMILESCc1nc(F)nc2c1sc1ccccc12
InChIInChI=1S/C11H7FN2S/c1-6-10-9(14-11(12)13-6)7-4-2-3-5-8(7)15-10/h2-5H,1H3
InChIKeyBVLXMPFXFGVVAM-UHFFFAOYSA-N
XLogP3.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-4-methyl-[1]benzothiolo[3,2-d]pyrimidine
CID 144594588
4-methyl-2-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 130266371
4-methylsulfanyl-[1]benzothiolo[3,2-d]pyrimidin-2-amine
CID 820647
2,3-dimethyl-[1]benzothiolo[3,2-b]pyridine
CID 172684607
2,4-ditert-butyl-[1]benzothiolo[3,2-d]pyrimidine
CID 164819464
2-methyl-[1]benzothiolo[3,2-b]pyridine
CID 15441450
4-(4-methylphenyl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 121339088
2-chloro-[1]benzothiolo[3,2-d]pyrimidin-4-amine
CID 130222145
ethane;2-methyl-[1]benzothiolo[3,2-b]pyridine
CID 145072070
2-methyl-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 130266122
3-tert-butyl-2-methyl-[1]benzothiolo[2,3-b]pyrazine
CID 177086881
4-(4-phenylphenyl)-2-[4-[4-[4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 122489611

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-[1]benzothiolo[3,2-d]pyrimidine?
The IUPAC name of 2-fluoro-4-methyl-[1]benzothiolo[3,2-d]pyrimidine (CID 118245250) is 2-fluoro-4-methyl-[1]benzothiolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-fluoro-4-methyl-[1]benzothiolo[3,2-d]pyrimidine?
The canonical SMILES for 2-fluoro-4-methyl-[1]benzothiolo[3,2-d]pyrimidine is Cc1nc(F)nc2c1sc1ccccc12.
What is the InChIKey of 2-fluoro-4-methyl-[1]benzothiolo[3,2-d]pyrimidine?
The InChIKey is BVLXMPFXFGVVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2S/c1-6-10-9(14-11(12)13-6)7-4-2-3-5-8(7)15-10/h2-5H,1H3.
What are the key properties of 2-fluoro-4-methyl-[1]benzothiolo[3,2-d]pyrimidine?
2-fluoro-4-methyl-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 218.26 g/mol, XLogP of 3.29, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 118245250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).