4-methyl-N-[6-(2-methylsulfonylphenoxy)quinazolin-4-yl]-1,3-thiazol-2-amine

C19H16N4O3S2 — CID 45483613

IUPAC4-methyl-N-[6-(2-methylsulfonylphenoxy)quinazolin-4-yl]-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ncnc3ccc(Oc4ccccc4S(C)(=O)=O)cc23)n1
InChIInChI=1S/C19H16N4O3S2/c1-12-10-27-19(22-12)23-18-14-9-13(7-8-15(14)20-11-21-18)26-16-5-3-4-6-17(16)28(2,24)25/h3-11H,1-2H3,(H,20,21,22,23)
InChIKeyNTFJFTGZRKWDEO-UHFFFAOYSA-N
MW412.50 g/mol
LogP4.33
Rot. Bonds5

About 4-methyl-N-[6-(2-methylsulfonylphenoxy)quinazolin-4-yl]-1,3-thiazol-2-amine

4-methyl-N-[6-(2-methylsulfonylphenoxy)quinazolin-4-yl]-1,3-thiazol-2-amine (PubChem CID 45483613) has the molecular formula C19H16N4O3S2 and a molecular weight of 412.50 g/mol. Its IUPAC name is 4-methyl-N-[6-(2-methylsulfonylphenoxy)quinazolin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[6-(2-methylsulfonylphenoxy)quinazolin-4-yl]-1,3-thiazol-2-amine
PubChem CID45483613
Molecular FormulaC19H16N4O3S2
Molecular Weight412.50 g/mol
Exact Mass412.07
IUPAC Name4-methyl-N-[6-(2-methylsulfonylphenoxy)quinazolin-4-yl]-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ncnc3ccc(Oc4ccccc4S(C)(=O)=O)cc23)n1
InChIInChI=1S/C19H16N4O3S2/c1-12-10-27-19(22-12)23-18-14-9-13(7-8-15(14)20-11-21-18)26-16-5-3-4-6-17(16)28(2,24)25/h3-11H,1-2H3,(H,20,21,22,23)
InChIKeyNTFJFTGZRKWDEO-UHFFFAOYSA-N
XLogP4.33
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[6-(2-methylsulfonylphenoxy)quinazolin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-[6-(2-methylsulfonylphenoxy)quinazolin-4-yl]-1,3-thiazol-2-amine (CID 45483613) is 4-methyl-N-[6-(2-methylsulfonylphenoxy)quinazolin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-[6-(2-methylsulfonylphenoxy)quinazolin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-[6-(2-methylsulfonylphenoxy)quinazolin-4-yl]-1,3-thiazol-2-amine is Cc1csc(Nc2ncnc3ccc(Oc4ccccc4S(C)(=O)=O)cc23)n1.
What is the InChIKey of 4-methyl-N-[6-(2-methylsulfonylphenoxy)quinazolin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is NTFJFTGZRKWDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S2/c1-12-10-27-19(22-12)23-18-14-9-13(7-8-15(14)20-11-21-18)26-16-5-3-4-6-17(16)28(2,24)25/h3-11H,1-2H3,(H,20,21,22,23).
What are the key properties of 4-methyl-N-[6-(2-methylsulfonylphenoxy)quinazolin-4-yl]-1,3-thiazol-2-amine?
4-methyl-N-[6-(2-methylsulfonylphenoxy)quinazolin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 412.50 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[6-(2-methylsulfonylphenoxy)quinazolin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 45483613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).