4-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline

C18H14FN5S — CID 133427019

IUPAC4-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline
SMILESCc1ccc2ncnc(Sc3nnc(-c4ccccc4F)n3C)c2c1
InChIInChI=1S/C18H14FN5S/c1-11-7-8-15-13(9-11)17(21-10-20-15)25-18-23-22-16(24(18)2)12-5-3-4-6-14(12)19/h3-10H,1-2H3
InChIKeyALVQJANASGLNQO-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.02
Rot. Bonds3

About 4-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline

4-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline (PubChem CID 133427019) has the molecular formula C18H14FN5S and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline.

Molecular Properties

Compound Name4-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline
PubChem CID133427019
Molecular FormulaC18H14FN5S
Molecular Weight351.41 g/mol
Exact Mass351.10
IUPAC Name4-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline
SMILESCc1ccc2ncnc(Sc3nnc(-c4ccccc4F)n3C)c2c1
InChIInChI=1S/C18H14FN5S/c1-11-7-8-15-13(9-11)17(21-10-20-15)25-18-23-22-16(24(18)2)12-5-3-4-6-14(12)19/h3-10H,1-2H3
InChIKeyALVQJANASGLNQO-UHFFFAOYSA-N
XLogP4.02
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline with MolForge

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Related Compounds

6-methyl-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinazoline
CID 133426925
6-methyl-4-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]quinazoline
CID 133426911
4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-6-methylquinazoline
CID 133426978
3-methyl-2-(6-methylquinazolin-4-yl)sulfanylquinazolin-4-one
CID 133427777
4-[[5-(furan-2-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline
CID 133444072
6-methyl-4-(1-propan-2-yltetrazol-5-yl)sulfanylquinazoline
CID 133426595
4-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-6-fluoroquinazoline
CID 133427085
3,5,6-trimethyl-2-(6-methylquinazolin-4-yl)sulfanylthieno[2,3-d]pyrimidin-4-one
CID 133425474
6-fluoro-4-(2-fluorophenyl)sulfanylquinazoline
CID 133424999
[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl-trimethylsilane
CID 56529378
4-[[4-(4-ethoxyphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline
CID 133443952
3-(3-ethoxy-4-nitrophenyl)sulfanyl-5-(2-fluorophenyl)-4-methyl-1,2,4-triazole
CID 133427061

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline?
The IUPAC name of 4-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline (CID 133427019) is 4-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline.
What is the SMILES notation for 4-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline?
The canonical SMILES for 4-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline is Cc1ccc2ncnc(Sc3nnc(-c4ccccc4F)n3C)c2c1.
What is the InChIKey of 4-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline?
The InChIKey is ALVQJANASGLNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5S/c1-11-7-8-15-13(9-11)17(21-10-20-15)25-18-23-22-16(24(18)2)12-5-3-4-6-14(12)19/h3-10H,1-2H3.
What are the key properties of 4-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline?
4-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline has a molecular weight of 351.41 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-6-methylquinazoline is sourced from PubChem (CID 133427019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).