6,7-diethoxy-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]quinazolin-4-amine

C22H22N4O2S — CID 10194393

IUPAC6,7-diethoxy-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]quinazolin-4-amine
SMILESCCOc1cc2ncnc(Nc3cccc(-c4nc(C)cs4)c3)c2cc1OCC
InChIInChI=1S/C22H22N4O2S/c1-4-27-19-10-17-18(11-20(19)28-5-2)23-13-24-21(17)26-16-8-6-7-15(9-16)22-25-14(3)12-29-22/h6-13H,4-5H2,1-3H3,(H,23,24,26)
InChIKeySSEAWJZDUNEHNN-UHFFFAOYSA-N
MW406.51 g/mol
LogP5.60
Rot. Bonds7

About 6,7-diethoxy-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]quinazolin-4-amine

6,7-diethoxy-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]quinazolin-4-amine (PubChem CID 10194393) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is 6,7-diethoxy-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name6,7-diethoxy-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]quinazolin-4-amine
PubChem CID10194393
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC Name6,7-diethoxy-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]quinazolin-4-amine
SMILESCCOc1cc2ncnc(Nc3cccc(-c4nc(C)cs4)c3)c2cc1OCC
InChIInChI=1S/C22H22N4O2S/c1-4-27-19-10-17-18(11-20(19)28-5-2)23-13-24-21(17)26-16-8-6-7-15(9-16)22-25-14(3)12-29-22/h6-13H,4-5H2,1-3H3,(H,23,24,26)
InChIKeySSEAWJZDUNEHNN-UHFFFAOYSA-N
XLogP5.60
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.51
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 176870
CID 176870
CID 176871
CID 176871
CID 22024915
CID 22024915
CID 3798
CID 3798
CID 1474853
CID 1474853
CID 16045730
CID 16045730
CID 5328202
CID 5328202
CID 9916282
CID 9916282
CID 60202391
CID 60202391
CID 71710912
CID 71710912
CID 1714
CID 1714
CID 5740
CID 5740

Frequently Asked Questions

What is the IUPAC name of 6,7-diethoxy-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]quinazolin-4-amine?
The IUPAC name of 6,7-diethoxy-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]quinazolin-4-amine (CID 10194393) is 6,7-diethoxy-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]quinazolin-4-amine.
What is the SMILES notation for 6,7-diethoxy-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]quinazolin-4-amine?
The canonical SMILES for 6,7-diethoxy-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]quinazolin-4-amine is CCOc1cc2ncnc(Nc3cccc(-c4nc(C)cs4)c3)c2cc1OCC.
What is the InChIKey of 6,7-diethoxy-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]quinazolin-4-amine?
The InChIKey is SSEAWJZDUNEHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S/c1-4-27-19-10-17-18(11-20(19)28-5-2)23-13-24-21(17)26-16-8-6-7-15(9-16)22-25-14(3)12-29-22/h6-13H,4-5H2,1-3H3,(H,23,24,26).
What are the key properties of 6,7-diethoxy-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]quinazolin-4-amine?
6,7-diethoxy-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]quinazolin-4-amine has a molecular weight of 406.51 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethoxy-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 10194393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).