3-methyl-N-[6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-yl]-1,2-thiazol-5-amine

C23H22N4O3S2 — CID 134145403

IUPAC3-methyl-N-[6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-yl]-1,2-thiazol-5-amine
SMILESCc1cc(Nc2ccnc3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)cc23)sn1
InChIInChI=1S/C23H22N4O3S2/c1-16-14-23(31-26-16)25-22-8-9-24-21-7-4-18(15-20(21)22)17-2-5-19(6-3-17)32(28,29)27-10-12-30-13-11-27/h2-9,14-15H,10-13H2,1H3,(H,24,25)
InChIKeyFGISBBIHFPNTQP-UHFFFAOYSA-N
MW466.59 g/mol
LogP4.43
Rot. Bonds5

About 3-methyl-N-[6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-yl]-1,2-thiazol-5-amine

3-methyl-N-[6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-yl]-1,2-thiazol-5-amine (PubChem CID 134145403) has the molecular formula C23H22N4O3S2 and a molecular weight of 466.59 g/mol. Its IUPAC name is 3-methyl-N-[6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-yl]-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-[6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-yl]-1,2-thiazol-5-amine
PubChem CID134145403
Molecular FormulaC23H22N4O3S2
Molecular Weight466.59 g/mol
Exact Mass466.11
IUPAC Name3-methyl-N-[6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-yl]-1,2-thiazol-5-amine
SMILESCc1cc(Nc2ccnc3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)cc23)sn1
InChIInChI=1S/C23H22N4O3S2/c1-16-14-23(31-26-16)25-22-8-9-24-21-7-4-18(15-20(21)22)17-2-5-19(6-3-17)32(28,29)27-10-12-30-13-11-27/h2-9,14-15H,10-13H2,1H3,(H,24,25)
InChIKeyFGISBBIHFPNTQP-UHFFFAOYSA-N
XLogP4.43
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-yl]-1,2-thiazol-5-amine?
The IUPAC name of 3-methyl-N-[6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-yl]-1,2-thiazol-5-amine (CID 134145403) is 3-methyl-N-[6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-yl]-1,2-thiazol-5-amine.
What is the SMILES notation for 3-methyl-N-[6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-yl]-1,2-thiazol-5-amine?
The canonical SMILES for 3-methyl-N-[6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-yl]-1,2-thiazol-5-amine is Cc1cc(Nc2ccnc3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)cc23)sn1.
What is the InChIKey of 3-methyl-N-[6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-yl]-1,2-thiazol-5-amine?
The InChIKey is FGISBBIHFPNTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S2/c1-16-14-23(31-26-16)25-22-8-9-24-21-7-4-18(15-20(21)22)17-2-5-19(6-3-17)32(28,29)27-10-12-30-13-11-27/h2-9,14-15H,10-13H2,1H3,(H,24,25).
What are the key properties of 3-methyl-N-[6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-yl]-1,2-thiazol-5-amine?
3-methyl-N-[6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-yl]-1,2-thiazol-5-amine has a molecular weight of 466.59 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-yl]-1,2-thiazol-5-amine is sourced from PubChem (CID 134145403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).